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help me reduce GSK3β inhibitory activity and improve LogP value and QED score of molecule CCc1nnc(CNC[C@H]2[C@H](C(N)=[NH2+])CCCN2C(=O)C2CC2)s1.
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CCc1nnc(CNC[C@H]2[C@H](C)CCCN2C(=O)C2CC2)s1
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help me reduce rotatable bonds and synthetic accessibility and improve QED score of molecule CCC(CC)[C@@H](OC)[C@]1(C)CC[C@@H](Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1.
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C[C@]1(O)CC[C@H](Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1
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Help me reduce the number of hydrogen bond acceptors in molecule CNC[NH+]1CCCN(C(=O)c2cc(C)on2)Cc2ccccc2N(C(=O)C2CC2)CCC1
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Cc1cc(C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CCCN(C(=O)C3CC3)c3ccccc3C2)no1
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help me improve hydrogen bond acceptors and JNK3 binding affinity of molecule CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C=CCN3)[nH]n2)C1.
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CC(=O)NC(C(=O)O)C(O)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C=CCN3)[nH]n2)C1
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help me reduce DRD2 binding affinity and hydrogen bond acceptors and H-bond donors and improve LogP value of molecule Cc1cccc([C@H]2CN(CNCCN)C[C@@H]2C(=O)NCC2CCC(C#N)CC2)c1.
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Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)NCC2CCC(C#N)CC2)c1
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help me reduce DRD2 binding affinity and GSK3β inhibitory activity and improve QED score of molecule O=C(N[C@H]1Cc2cccc(-c3ccc(F)c(Br)c3)c2C1)N1CC[C@@H]1c1cccc(F)c1.
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O=C(N[C@H]1Cc2cccc(O)c2C1)N1CC[C@@H]1c1cccc(F)c1
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help me reduce LogP value and improve GSK3β inhibitory activity and hydrogen bond acceptors and molecular weight of molecule N[C@H]1CCCC[C@@H]1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1.
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CC(C[NH+](CNC(=O)[C@H]1CCCC[C@@H]1N)Cc1ccnc(Oc2ccc(F)cc2)c1)C(=O)[O-]
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help me reduce hydrogen bond acceptors and molecular weight of molecule CC(C[NH+](Cc1ccccc1C#N)CN1C(=O)C(C)C(=O)C=C1N1CCCC(N)C1)C(=O)[O-].
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CC1C(=O)C=C(N2CCCC(N)C2)N(Cc2ccccc2C#N)C1=O
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help me reduce DRD2 binding affinity and GSK3β inhibitory activity of molecule CC[C@H](SC)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cnccc1-c1ccc(Cl)c(Cl)c1.
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CC[C@H](SC)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cnccc1C
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help me reduce H-bond donors and improve LogP value and QED score of molecule CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH3+])ccc1C(N)=[NH2+].
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CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH3+])ccc1C
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help me reduce DRD2 binding affinity and JNK3 binding affinity and improve QED score of molecule CO[C@H](CN[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1)c1ccc(Cl)c(Cl)c1.
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CO[C@@H](C)CN[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1
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Help me make the molecule O=C(OCC1CCCN1)C(c1ccccc1)(c1ccc(I)cc1)C1CCC(F)(F)C1 with more hydrogen bond acceptors
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O=C(OCC1CCCN1)C(O)(c1ccccc1)C1CCC(F)(F)C1
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Help me reduce the number of hydrogen bond donors in molecule C=NCC1=C(O)C2(O)C(=O)C3=C(O)c4c(cccc4OS(=O)(=O)c4ccccc4)CC3CC2C(N(C)C)C1=O
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C=NCC1=C(COc2cc(Cl)ccc2C)C2(O)C(=O)C3=C(O)c4c(cccc4OS(=O)(=O)c4ccccc4)CC3CC2C(N(C)C)C1=O
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help me reduce hydrogen bond acceptors and H-bond donors and JNK3 binding affinity and improve LogP value of molecule C#CC(CO)C(O)(CO)NC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1.
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C#CC(C)(CC)NC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
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help me reduce LogP value and improve H-bond donors and synthetic accessibility of molecule CN(CC1CC(C)(C)CCC1O)CC1CCCN1C.
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CN(CC1CC(C)(C(N)=[NH2+])CCC1O)CC1CCCN1C
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help me reduce hydrogen bond acceptors and H-bond donors and improve LogP value of molecule CCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2B(O)O)cc1.
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CCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1
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help me reduce hydrogen bond acceptors and synthetic accessibility and improve DRD2 binding affinity and LogP value of molecule CC[C@H](F)CN1CCCN(C(=O)C[NH+](Cc2c(F)cccc2Cl)CC(C)C(=O)[O-])CC1.
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CC[C@H](F)CN1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1
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Help me reduce the number of hydrogen bond donors in molecule Cc1nc(-c2ccc(-n3c(=O)c(N)cn(C)c3=O)cc2)sc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)cc1C#N
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Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)cc1C#N
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Help me reduce the QED of molecule Cc1c(Cl)cccc1NC(=O)CN1C(=O)CN(C)C(=O)c2ccccc21 to make it less like a drug
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CN1CC(=O)N(CC(=O)Nc2cccc(Cl)c2-c2cc(Br)ccc2Br)c2ccccc2C1=O
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help me reduce LogP value and improve GSK3β inhibitory activity and synthetic accessibility of molecule CCC(C)N(CCOC)c1cnc(C(=O)OC)cn1.
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CCC(C(N)=[NH2+])N(CCOC)c1cnc(C(=O)OC)cn1
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help me reduce hydrogen bond acceptors and molecular weight and synthetic accessibility of molecule CC(C[NH+](CNC(=O)CCC1CCNCC1)CC(C)C(=O)[O-])Sc1ccc(Br)cc1.
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CC(CNC(=O)CCC1CCNCC1)Sc1ccc(Br)cc1
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Help me reduce the number of hydrogen bond acceptors in molecule CC(C)COC(=O)C(C#N)=Cc1cc(Br)c(B(O)O)c([N+](=O)[O-])c1O
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Cc1c(Br)cc(C=C(C#N)C(=O)OCC(C)C)c(O)c1[N+](=O)[O-]
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help me improve DRD2 binding affinity and molecular weight of molecule O=C(Cc1cnc[nH]1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O.
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O=C(Cc1cnc[nH]1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1c1ccc(Cl)s1
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help me reduce rotatable bonds and synthetic accessibility and improve QED score of molecule CCC=CC=CC(C)C(C)Oc1cccc([C@@H]2C[C@H]2NC(=O)N2CCCC[C@@H]2c2ccccc2)c1.
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CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCCC[C@@H]2c2ccccc2)c1
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help me reduce hydrogen bond acceptors and H-bond donors of molecule CC(Oc1cccc(B(O)O)c1)C(=O)NC(C)(CO)CO.
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Cc1cccc(OC(C)C(=O)NC(C)(CO)CO)c1
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help me improve JNK3 binding affinity and LogP value and molecular weight of molecule C#CCn1cc2c3c(cccc31)C1CC(NC(=O)N(CC)CC)C[NH+](C)C1C2.
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C#CCn1cc2c3c(cccc31)C1CC(NC(=O)N(CC)CC)C[NH+](c3csc4ccccc34)C1C2
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help me reduce JNK3 binding affinity and LogP value of molecule NC(c1ccc(Cl)cc1Cl)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1.
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O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1
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Help me make the molecule CC(c1ccccc1)N1C(=O)C2(Cc3ccccc3)Cc3ccccc3CC1C(=O)N2C(C)c1ccccc1 with more hydrogen bond acceptors
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C=C(C)C[NH2+]CC(O)C(C)N1C(=O)C2Cc3ccccc3CC1(Cc1ccccc1)C(=O)N2C(C)c1ccccc1
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Help me make the molecule O=S1(=O)c2ccccc2C2(c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)c2ccccc21 with more hydrogen bond acceptors
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CC(CO)(CO)N(c1ccccc1)c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-3)c3ccccc3S(=O)(=O)c3ccccc32)cc1
|
Help me reduce the number of hydrogen bond donors in molecule Cc1nc(B(O)O)c(C(=O)NC[C@H]2CCCN(C/C(Cl)=C\Cl)C2)o1
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Cc1nc(C)c(C(=O)NC[C@H]2CCCN(C/C(Cl)=C\Cl)C2)o1
|
help me reduce DRD2 binding affinity and improve H-bond donors of molecule O=C(c1cc(NCc2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(-c3ccc4c(c3)OCO4)cc12)N1CCCC1CN1CCCC1.
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CC(C)NC(=O)C(CNc1cc(C(=O)N2CCCC2CN2CCCC2)c2cc(-c3ccc4c(c3)OCO4)cc(Cl)c2n1)NC(=O)C(F)(F)F
|
help me reduce DRD2 binding affinity and QED score of molecule COc1ccc2c(c1)CCCN2C(=O)CNC1(c2nc(C)cs2)CCC1.
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CCCCCCC(CNC1(c2nc(C)cs2)CCC1)C(=O)N1CCCc2cc(OC)ccc21
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help me reduce hydrogen bond acceptors and H-bond donors and improve LogP value of molecule CN=Cc1c(B(O)O)nc(N2CCNCC2)nc1-c1ccc(N)nc1.
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CN=Cc1c(C)nc(N2CCNCC2)nc1-c1ccc(N)nc1
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Help me reduce the number of hydrogen bond acceptors in molecule CCOC(=O)C(c1cc(OC)ccc1OC)C1C=CC(NC(=O)c2cc(Cl)cc(Cl)c2)C1
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C=C(C=CC(=CC)c1ccc(OC)c(C(C(=O)OCC)C2C=CC(NC(=O)c3cc(Cl)cc(Cl)c3)C2)c1)C(C)CC
|
Help me make the molecule CN(CC(=O)N1CCOCC1)C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1 with more hydrogen bond donors
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CC(C[NH+](CC(=O)N1CCOCC1)CN(C)C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]
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Help me reduce the number of hydrogen bond acceptors in molecule CC(C)C[NH+](CC(=O)[O-])C(F)(F)CNC(=O)C1CCN(C(=O)NC2CC3CCCC(C2)N3C)C1
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CN1C2CCCC1CC(NC(=O)N1CCC(C(=O)NCC(F)(F)F)C1)C2
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help me improve LogP value and molecular weight of molecule Cc1cc(C)n2nc(C(=O)NCCN3CC(C)OC(C)C3)nc2n1.
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CCC(CC)(CC)Sc1cc(C)n2nc(C(=O)NCCN3CC(C)OC(C)C3)nc2n1
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help me reduce QED score and improve DRD2 binding affinity and synthetic accessibility of molecule C[C@H](c1ccc(F)c(Cl)c1)N1CCN(C(=O)Cc2ccc[nH]2)CC1.
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CCCC(CCBr)C[C@H](c1ccc(F)c(Cl)c1)N1CCN(C(=O)Cc2ccc[nH]2)CC1
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help me reduce QED score and improve hydrogen bond acceptors and JNK3 binding affinity and molecular weight and rotatable bonds of molecule O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1ccc(F)cc1F.
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CC(C[NH+](CO)C[C@H](NC(=O)c1ccc(F)cc1F)c1ccccc1C(F)(F)F)C(=O)[O-]
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Help me improve the QED of molecule C=C[C@@H](CCCCCCC)N(C)CC[C@H](Oc1ccc(OC(F)(F)F)c(OC)c1)c1ccccc1 to make it more like a drug
|
COc1cc(O[C@@H](CCN(C)C)c2ccccc2)ccc1OC(F)(F)F
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help me reduce QED score and improve molecular weight and synthetic accessibility of molecule COc1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1C.
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C=C[C@@H](CCCCCCC)Oc1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1C
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help me reduce synthetic accessibility and improve QED score of molecule C=C[C@@H](CCCCCCC)N(C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1)C1CCCCCC1.
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CN(C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1)C1CCCCCC1
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help me reduce LogP value and rotatable bonds and synthetic accessibility of molecule CCC(CC)(CC)SC1CN(CCNC(=O)c2nc3nc(C)cc(C)n3n2)CC(C)O1.
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Cc1cc(C)n2nc(C(=O)NCCN3CC(C)OC(C)C3)nc2n1
|
help me improve hydrogen bond acceptors and JNK3 binding affinity of molecule CC(C)(C)Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1.
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CC(C)(C)Nc1ccc(NC(=O)c2cccc(C(=NN)NN)c2)nc1
|
help me reduce LogP value and improve hydrogen bond acceptors and JNK3 binding affinity and molecular weight and synthetic accessibility of molecule O=C(NC1CCCC1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1.
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CC(C)C[NH+](CC(=O)[O-])C(F)(F)Oc1ccc(Nc2nc(C(=O)NC3CCCC3)cs2)cc1
|
help me reduce synthetic accessibility and improve LogP value and QED score of molecule CCC(N)c1ccc2c(c1)NC(=O)C(C(N)=[NH2+])O2.
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CCC(N)c1ccc2c(c1)NC(=O)C(C)O2
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help me improve GSK3β inhibitory activity and JNK3 binding affinity of molecule Cc1nc(-c2ccc(C(=O)OC(C)C(=O)Nc3cccc4ccccc34)cc2)[nH]c1C.
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C=C[C@@H](CCCCCCC)c1[nH]c(-c2ccc(C(=O)OC(C)C(=O)Nc3cccc4ccccc34)cc2)nc1C
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help me reduce JNK3 binding affinity and synthetic accessibility of molecule CC(c1ccccc1Cl)C(F)(F)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(Br)s2)c1.
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O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(Br)s1
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help me reduce QED score and improve JNK3 binding affinity and molecular weight of molecule CC(C)(C)OC(=O)n1nc(N)c2ccc(Nc3ccccc3Cl)cc21.
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C=C[C@@H](CCCCCCC)C(C)(C)OC(=O)n1nc(N)c2ccc(Nc3ccccc3Cl)cc21
|
Help me reduce the QED of molecule CC(C)OCCCNC(=O)CSc1nnnn1Cc1ccco1 to make it less like a drug
|
CCCC(CCBr)C[C@@H](C)OCCCNC(=O)CSc1nnnn1Cc1ccco1
|
Help me reduce the number of hydrogen bond acceptors in molecule C=C(C=CC(=C)OC(F)(F)F)Nc1ncnc(-c2cccc(C(=O)NCCN(C)C)c2)n1
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C=C(C=CC(=C)C1CCC(C(C)C(F)(F)F)CC1)Nc1ncnc(-c2cccc(C(=O)NCCN(C)C)c2)n1
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help me reduce GSK3β inhibitory activity and molecular weight of molecule CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)c2[nH]ccc2-c2ccc(Cl)cc2Cl)CC1.
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Cc1cc[nH]c1C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1
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help me reduce H-bond donors and improve LogP value and QED score of molecule CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4cc(C(N)=[NH+]O)ccc4Cl)CC3)cc2C)CC1.
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CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2C)CC1
|
help me reduce GSK3β inhibitory activity and H-bond donors of molecule CC1(C(N)=[NH2+])CCC(NCc2ccc3c(c2)NC(=O)CO3)C1.
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CC1(C)CCC(NCc2ccc3c(c2)NC(=O)CO3)C1
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help me reduce QED score and improve synthetic accessibility of molecule CCC(C)(C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1.
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CCC(C)(NC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(Br)c(Cl)c1
|
Help me reduce the QED of molecule COc1ccc(Cl)cc1NC(=O)C(=O)N(C)C1CCN(C)CC1 to make it less like a drug
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CCC(CC)(CC)SN(C(=O)C(=O)Nc1cc(Cl)ccc1OC)C1CCN(C)CC1
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Help me make the molecule CCC(=O)N1CCN(c2ccc(Nc3ncnc4c(C(=O)Nc5c(Cl)c(C)cc(OC)c5Cl)csc34)cc2)CC1 with more hydrogen bond acceptors
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CCC(=O)N1CCN(c2ccc(C(N)=[NH+]O)cc2Nc2ncnc3c(C(=O)Nc4c(Cl)c(C)cc(OC)c4Cl)csc23)CC1
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help me improve GSK3β inhibitory activity and synthetic accessibility of molecule C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)CC2)n1ccccc1=O.
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CCCC(C)(CC)CN(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)CC2)C(C)n1ccccc1=O
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Help me make the molecule O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1Cl with more hydrogen bond acceptors
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O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=CCO
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help me reduce GSK3β inhibitory activity and molecular weight of molecule [B]C(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3-c3cc(Cl)cc(Cl)c3)cn12.
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[B]C(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3C)cn12
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help me reduce GSK3β inhibitory activity and JNK3 binding affinity of molecule CC(C)Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCN(S(=O)(=O)c5c[nH]c6ncccc56)CC4)C3)cc2)c1.
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Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(S(=O)(=O)c4c[nH]c5ncccc45)CC3)C2)cc1
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help me reduce molecular weight and synthetic accessibility of molecule CCCC(CCBr)CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C)N(CCC2CCOCC2)C1.
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C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1CCC1CCOCC1
|
help me reduce H-bond donors and improve QED score of molecule CCCOC1CCCN(CC(=O)c2ccc(Cl)c(C(=NN)NN)c2)C1.
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CCCOC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
|
help me reduce molecular weight and improve QED score of molecule CC[C@]1(CC(C)=CCCBr)CCCN(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)C1.
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CC[C@]1(CO)CCCN(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)C1
|
help me reduce synthetic accessibility and improve QED score of molecule CCC(CC)(CC)SC(CNC(=O)c1cc2c(s1)CC[C@@H](C)C2)N1CCc2sccc2C1.
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C[C@@H]1CCc2sc(C(=O)NC[C@H](C)N3CCc4sccc4C3)cc2C1
|
help me reduce QED score and improve H-bond donors of molecule CCC1=C(O)CC(OC)C(c2cccc(N)n2)=C1.
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CCC1=C(O)CC(OC(N)=[NH2+])C(c2cccc(N)n2)=C1
|
help me reduce DRD2 binding affinity and JNK3 binding affinity and molecular weight and improve QED score of molecule CC(C)Cc1cccc(-c2ccc([C@H]3CCC[C@@H]3N(C)CCC(=O)Nc3cccc(F)c3)cc2)c1.
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Cc1ccc([C@H]2CCC[C@@H]2N(C)CCC(=O)Nc2cccc(F)c2)cc1
|
help me reduce rotatable bonds and synthetic accessibility of molecule C[C@H](CSc1ccccc1)NC(=O)NCc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1.
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CNC(=O)NCc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1
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Help me make the molecule CC1=[N+](CC2=CCCC=C2)C(C)(c2ccccc2)N=C1n1c2ccccc2c2cc(-c3cccc4c5c(oc34)CCC=C5)ccc21 with more hydrogen bond donors
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CC1=[N+](CC2=CCCC=C2)C(C)(C[NH+](C)C)N=C1n1c2ccccc2c2cc(-c3cccc4c5c(oc34)CCC=C5)ccc21
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help me reduce H-bond donors and improve LogP value and QED score of molecule NC(=[NH+]O)c1ccc(Br)c(C(=O)C[NH+]2CCN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)c1.
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O=C(C[NH+]1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1)c1ccc(Br)cc1
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help me reduce QED score and improve rotatable bonds and synthetic accessibility of molecule Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1.
|
CCC(CC)(CC)Sc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)cc3)C2)s1
|
help me improve GSK3β inhibitory activity and JNK3 binding affinity of molecule CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1.
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CCc1ccc(-n2c(SCc3ncn[nH]3)nnc2-c2ccncc2)cc1
|
Help me make the molecule CCc1cccc(CC)c1NC(=O)C(=O)NC1CCCC1(C)CCc1ccccc1 with more hydrogen bond donors
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CCc1cccc(CC)c1NC(=O)C(=O)NC1CCCC1(C)CO
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Help me make the molecule CCCCCC1(C2CCS(=O)(=O)C2)CCCOC1 with more hydrogen bond donors
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CCC[NH2+]CC1(C2CCS(=O)(=O)C2)CCCOC1
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help me reduce LogP value and QED score and improve rotatable bonds of molecule CC(=O)Nc1cccc(C(=O)N[C@H]2CC[C@@H](C)N(CCC3CC3)C2)c1.
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CC(=O)Nc1cccc(C(=O)N[C@H]2CC[C@@H](C)N(CCNC(CO)CO)C2)c1
|
help me reduce hydrogen bond acceptors and H-bond donors of molecule O=C(c1oc2c(Cl)cccc2c1B(O)O)N1CCO[C@@H](c2nccs2)C1.
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Cc1c(C(=O)N2CCO[C@@H](c3nccs3)C2)oc2c(Cl)cccc12
|
help me reduce H-bond donors and improve QED score of molecule CC1CCN(S(=O)(=O)c2cc(C(N)=[NH+]O)ccc2C(=O)OCC(=O)NC2CCCc3ccccc32)CC1.
|
CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NC3CCCc4ccccc43)cc2)CC1
|
help me reduce DRD2 binding affinity and LogP value of molecule CC[NH+]1CCC(CCNC(=O)N(Cc2cn[nH]c2-c2ccc(F)cc2)C(C)c2ccc(Cl)cc2)CC1.
|
CC[NH+]1CCC(CCNC(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)CC1
|
help me improve hydrogen bond acceptors and H-bond donors of molecule CC(C)[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC3(F)F)[C@H]2C1)NC(=O)OC(C)(C)C.
|
CC(=O)NC(C(=O)O)C(O)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC3(F)F)[C@H]2C1)C(C)C
|
help me reduce JNK3 binding affinity and improve molecular weight of molecule CNC(=O)c1ccsc1NC(=O)[C@H]1CCO[C@@H](C(C)C)C1.
|
CCC(CC)(CC)SNC(=O)c1ccsc1NC(=O)[C@H]1CCO[C@@H](C(C)C)C1
|
Help me reduce the number of hydrogen bond acceptors in molecule COc1cc(Br)sc1[C@@H](C)N1CC[C@@](C)(NC(=O)c2nccc3occc23)C1
|
COC[C@@H](C)N1CC[C@@](C)(NC(=O)c2nccc3occc23)C1
|
help me improve JNK3 binding affinity and rotatable bonds of molecule O=C(OCc1ccccc1)N1CC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(O)cc4)CCO3)C2)C1.
|
CCC=C(C=CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4CN(C(=O)OCc5ccccc5)C4)C3)C2)cc1)CCC
|
Help me make the molecule CN(Cc1cc(Br)ccc1F)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 with more hydrogen bond acceptors
|
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N(Cc1cc(Br)ccc1F)Sc1cccc(Cl)c1
|
help me reduce GSK3β inhibitory activity and H-bond donors and synthetic accessibility of molecule NC(CC(=O)O)C(=O)NCn1ncc2cc(C(=O)N3CCCN(CC4CCC4)CC3)cnc21.
|
CC(C)Cn1ncc2cc(C(=O)N3CCCN(CC4CCC4)CC3)cnc21
|
Help me improve the QED of molecule COC(OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1)C(=O)N1CC[NH+](C)CC1 to make it more like a drug
|
Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)CCO2
|
Help me make the molecule Nc1ccccc1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(C(F)(F)F)s3)CSC12 with more hydrogen bond acceptors
|
CC(NC1=C(CSc2nnc(C(F)(F)F)s2)CSC2C(NC(=O)Cc3ccccc3N)C(=O)N12)c1ccc(Br)s1
|
help me reduce GSK3β inhibitory activity and improve DRD2 binding affinity of molecule CC(C)CCC(C(=O)NC1CC1)C(C)CCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1.
|
O=C(CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1)NC1CC1
|
help me reduce GSK3β inhibitory activity and improve QED score of molecule COC(=O)c1cnc(NC[NH+](CC(C)C(=O)[O-])C[C@H]2CCCC[C@H]2C)cc1C(F)(F)F.
|
COC(=O)c1cnc(NC[C@H]2CCCC[C@H]2C)cc1C(F)(F)F
|
help me reduce QED score and improve DRD2 binding affinity and molecular weight of molecule Cc1ccccc1Cc1nnc(CN2CC[C@@H](c3ccccc3)[C@H]2C)o1.
|
C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(Cc2ccccc2-c2ccc(Cl)c(Cl)c2)o1
|
help me improve GSK3β inhibitory activity and synthetic accessibility of molecule CCC[C@@H]1C[C@H]1n1c(-c2ccc(CC)cc2)nnc1N1CCCOCC1.
|
CCC=CC=CC(C)C(C)c1ccc(-c2nnc(N3CCCOCC3)n2[C@@H]2C[C@H]2CCC)cc1
|
Help me improve the QED of molecule Cc1cccnc1CNS(=O)(=O)c1c(B(O)O)ccc(C)c1N to make it more like a drug
|
Cc1cccnc1CNS(=O)(=O)c1c(C)ccc(C)c1N
|
help me reduce hydrogen bond acceptors and H-bond donors of molecule CCN[C@H]1CCN(C(=O)c2c(B(O)O)ccnc2OCC)C[C@H]1C.
|
CCN[C@H]1CCN(C(=O)c2c(C)ccnc2OCC)C[C@H]1C
|
help me reduce hydrogen bond acceptors and synthetic accessibility and improve QED score of molecule CCc1ccc(C(=O)NC[C@@H]2CN(C[NH+](Cc3ccon3)CC(C)C(=O)[O-])C[C@H]2C)o1.
|
CCc1ccc(C(=O)NC[C@@H]2CN(Cc3ccon3)C[C@H]2C)o1
|
help me reduce hydrogen bond acceptors and improve LogP value of molecule CC(C[NH+](CO)CC(NC(N)=O)C(=O)N1CCN(c2cccc(F)c2F)CC1)C(=O)[O-].
|
NC(=O)NC(CO)C(=O)N1CCN(c2cccc(F)c2F)CC1
|
Help me reduce the number of hydrogen bond acceptors in molecule CC(CO)(NCN1CC2CC1C(=O)N1CCN(C(=O)c3ccccc3)CC1COc1ncccc1C(=O)N2)C(N)=O
|
O=C1NC2CC(C(=O)N3CCN(C(=O)c4ccccc4)CC3COc3ncccc31)N(Cc1ccccc1O)C2
|
help me improve DRD2 binding affinity and JNK3 binding affinity and molecular weight and synthetic accessibility of molecule CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2)nc1.
|
CC[C@H](c1cccc(Cl)c1)C(C)CC[C@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2)nc1
|
help me reduce molecular weight and improve QED score of molecule Cc1cnn([C@@H]2CCN(C(=O)Nc3ccccc3N(CCC3CCC(C)CC3)C3CCCC3)C2)c1.
|
Cc1cnn([C@@H]2CCN(C(=O)Nc3ccccc3N(C)C3CCCC3)C2)c1
|
help me reduce synthetic accessibility and improve QED score of molecule C=C[C@@H](CCCCCCC)[C@@H](C)CC(=O)N(CCc1nc(-c2cccc(C)c2)no1)Cc1ccccc1.
|
Cc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)CC(C)C)n2)c1
|
help me reduce hydrogen bond acceptors and improve LogP value of molecule CC(C[NH+](CC1CCOCC1)CN(C)[C@@H](C)CNC(=O)c1sccc1C(C)C)C(=O)[O-].
|
CC(C)c1ccsc1C(=O)NC[C@H](C)N(C)CC1CCOCC1
|
Help me improve the QED of molecule CCOc1cc(C(C)NC(=O)c2cc(CC(C)C)[nH]n2)ccc1Oc1cc(C)cc(CC)c1C to make it more like a drug
|
CCOc1ccc(C(C)NC(=O)c2cc(CC(C)C)[nH]n2)cc1OCC
|
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