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help me reduce GSK3β inhibitory activity and H-bond donors of molecule CC(C)NC(=O)NCc1ccc(C(=O)Nc2cccc(-c3ccnc(B(O)O)n3)c2)cc1.
|
Cc1nccc(-c2cccc(NC(=O)c3ccc(CNC(=O)NC(C)C)cc3)c2)n1
|
help me reduce hydrogen bond acceptors and molecular weight and synthetic accessibility of molecule CC(C[NH+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)CN(C)C(=O)c1cccnc1)C(=O)[O-].
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CN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(=O)c1cccnc1
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help me improve GSK3β inhibitory activity and synthetic accessibility of molecule COCC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCC(OC)C4C)c(C=O)nc32)ncc1C#N.
|
C=c1[nH]n(C)c(=O)c1=C[N@@H+](C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCC(OC)C4C)c(C=O)nc32)ncc1C#N
|
help me reduce H-bond donors and improve LogP value of molecule CC(C(N)=[NH2+])C(C)(O)CNC(=O)CCCOc1ccccc1.
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CC(C)C(C)(O)CNC(=O)CCCOc1ccccc1
|
help me improve GSK3β inhibitory activity and synthetic accessibility of molecule Cc1ccccc1C(C(=O)O)c1cccc2c1c1n[nH]c(=O)c-1cn2Cc1ccc(-n2cccn2)cc1.
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CCCC(C)C(Br)CC(c1ccccc1C)c1cccc2c1c1n[nH]c(=O)c-1cn2Cc1ccc(-n2cccn2)cc1
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help me reduce H-bond donors and synthetic accessibility of molecule Cc1cc(C)n(Cc2cccc(NC(=O)CCn3nc(C(F)(F)C[NH+](C)C4CC[NH+](C)CC4)c(Cl)c3C)c2)n1.
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Cc1cc(C)n(Cc2cccc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)c2)n1
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Help me reduce the QED of molecule O=C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cnc(OC2CCC2)cn1 to make it less like a drug
|
NC(N)=[NH+]Oc1cnc(C(=O)N2[C@H]3CCC[C@@H]2CC(=O)C3)cn1
|
help me improve molecular weight and synthetic accessibility of molecule Cc1ccc(CN2CC[C@H]2CNC(=O)[C@@H]2CCCOC2)cc1F.
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CCC(CC)(CC)Sc1ccc(CN2CC[C@H]2CNC(=O)[C@@H]2CCCOC2)cc1F
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help me reduce JNK3 binding affinity and molecular weight and improve QED score of molecule C=C[C@@H](CCCCCCC)C(C)(C)[C@H](CNC(=O)Cc1ccc(F)cc1)NC(=O)C1CCCC1.
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CC(C)(C)[C@H](CNC(=O)Cc1ccc(F)cc1)NC(=O)C1CCCC1
|
Help me make the molecule CCC(C)(C)CCCN(c1cc(C#N)ccc1N)C1CCC1 with more hydrogen bond acceptors
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N#Cc1ccc(N)c(N(CCCO)C2CCC2)c1
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help me improve hydrogen bond acceptors and H-bond donors and JNK3 binding affinity of molecule Cc1nc(Cl)nc(Oc2ccc(F)cc2)c1[N+](=O)[O-].
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O=[N+]([O-])c1c(Oc2ccc(F)cc2)nc(Cl)nc1B(O)O
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help me reduce H-bond donors and synthetic accessibility and improve LogP value of molecule CCCn1c(SC[C@H]2CCCC[C@@H]2C)nnc1B(O)O.
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CCCn1c(C)nnc1SC[C@H]1CCCC[C@@H]1C
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help me reduce GSK3β inhibitory activity and improve QED score of molecule CSc1ccc([C@@H](CC(=O)c2ccc(-c3ccc(CC(C)C)cc3)cc2)N(C)C)cc1.
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CSc1ccc([C@@H](CNC(=O)c2ccc(CC(C)C)cc2)N(C)C)cc1
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help me reduce synthetic accessibility and improve QED score of molecule CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCO[C@@H](C(C)C(N)=[NH2+])C1.
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CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1
|
help me reduce LogP value and molecular weight of molecule COc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1C(=O)N1CCC2C(O)CCC2C1=O.
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COc1ccc(C(=O)N2CCC3C(O)CCC3C2=O)c(OC)c1
|
help me reduce hydrogen bond acceptors and molecular weight and synthetic accessibility of molecule CC(C[NH+](CC(=O)O)C[C@](C)(C(=O)N[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1)C(=O)[O-].
|
C[C@@](CC(=O)O)(C(=O)N[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1
|
help me reduce DRD2 binding affinity and molecular weight of molecule CC(C)N(C)C[C@H]1CCN(C(=O)C(C)(C)c2cccc(Oc3cccc(Cl)c3Cl)c2)C1.
|
COc1cccc(C(C)(C)C(=O)N2CC[C@H](CN(C)C(C)C)C2)c1
|
help me reduce H-bond donors and rotatable bonds and improve LogP value of molecule CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)NC(=O)C(N)CC(=O)O.
|
CC(C)[C@H](O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C2
|
Help me make the molecule CC(C)(C)Cc1ccc(C2CCNCC2C(=O)N(Cc2cc(Br)cc(C(=O)C3CCCCC3)c2)C2CC2)cc1 with more hydrogen bond acceptors
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Cn1ccc(C2CCNCC2C(=O)N(Cc2cc(Br)cc(C(=O)C3CCCCC3)c2)C2CC2)cc1=O
|
help me reduce molecular weight and rotatable bonds and improve LogP value of molecule CC(C[NH+](CNC(=O)c1ccc(-c2ccccc2F)o1)C[C@@H](C)N1CCCC[C@@H]1C)C(=O)[O-].
|
C[C@H](CNC(=O)c1ccc(-c2ccccc2F)o1)N1CCCC[C@@H]1C
|
help me improve GSK3β inhibitory activity and JNK3 binding affinity and synthetic accessibility of molecule O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
|
CC(C[NH+](CSc1nnc(-c2ccc(Br)cc2)o1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-]
|
Help me make the molecule CCOC[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1 with more hydrogen bond donors
|
CCOCC(N[C@@H](c1ccccc1)c1ccc(OC)cc1)C(N)=[NH2+]
|
help me reduce LogP value and molecular weight of molecule COc1cc(Oc2cccc(C)c2Cl)cc([C@H](O)CNC(=O)[C@H](C)C(F)(F)F)c1.
|
COc1cc(OC)cc([C@H](O)CNC(=O)[C@H](C)C(F)(F)F)c1
|
help me improve GSK3β inhibitory activity and molecular weight of molecule CNc1ncnc(N)c1C(=N)C1CCC2C(=NN(C)C2C)C1.
|
Cc1cc(Nc2ncnc(N)c2C(=N)C2CCC3C(=NN(C)C3C)C2)cc(F)c1Br
|
Help me improve the QED of molecule CC(Oc1ccc(NC(=S)N(Cc2ccccc2F)C2CCCC2)c(Cl)c1)c1ccc(Cl)cc1 to make it more like a drug
|
COc1ccc(NC(=S)N(Cc2ccccc2F)C2CCCC2)c(Cl)c1
|
help me improve molecular weight and synthetic accessibility of molecule CNCCC(=O)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1.
|
CCC(CC)(CC)SNCCC(=O)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1
|
help me reduce hydrogen bond acceptors and rotatable bonds of molecule CC(C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)c3cccs3)C[C@H]21)CC1(C)CC1)C(=O)[O-].
|
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CC3(C)CC3)[C@@H]2C1)c1cccs1
|
Help me make the molecule CCCCCCc1ccc(C=Cc2ccc([N+](=O)[O-])c(CBr)c2)cc1OC(=O)O with more hydrogen bond acceptors
|
Nc1ccc(C=Cc2ccc([N+](=O)[O-])c(CBr)c2)cc1OC(=O)O
|
help me improve GSK3β inhibitory activity and JNK3 binding affinity and molecular weight of molecule Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)ccc1C(N)=O.
|
CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(C(N)=O)c(-c2cc(Cl)cc(Cl)c2)c1
|
help me reduce hydrogen bond acceptors and molecular weight of molecule CC(C[NH+](CN)CC(=CF)Cn1cc2c(n1)CCN(CC(C)(C)C)C2=O)C(=O)[O-].
|
CC(C)(C)CN1CCc2nn(CC(=CF)CN)cc2C1=O
|
help me reduce hydrogen bond acceptors and improve LogP value and QED score of molecule Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1C(F)[NH+](CC(=O)[O-])CC(C)C.
|
Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1C(F)F
|
Help me reduce the QED of molecule C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2coc(C)c2)C1 to make it less like a drug
|
C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2coc(-c3ccc(Cl)cc3I)c2)C1
|
Help me reduce the number of hydrogen bond acceptors in molecule CCOC(=O)CCCCN1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C2
|
C=C(C=CC(C)=CC)C(C)Cc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2CCCCC(=O)OCC
|
Help me reduce the QED of molecule Cc1nc(C)c(C(=O)N2CC(c3cccc(O)c3)C3C2C2CCN3CC2)s1 to make it less like a drug
|
Cc1nc(C)c(C(=O)N2CC(c3cccc(C4(CBr)CCCCC4)c3)C3C2C2CCN3CC2)s1
|
help me improve hydrogen bond acceptors and H-bond donors of molecule CC[C@@H](C)OCC(=O)N1CCC[C@@H](Nc2cc(C)ncn2)C1.
|
CC[C@@H](C)OCC(=O)N1CCC[C@@H](Nc2cc(B(O)O)ncn2)C1
|
help me reduce synthetic accessibility and improve QED score of molecule C=C[C@@H](CCCCCCC)C1(C)CCC[C@@H](CNC(=O)NC[C@H]2CCCc3cc(OC)ccc32)C1.
|
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NC[C@@H]1CCCC(C)(C)C1
|
help me reduce QED score and improve hydrogen bond acceptors and JNK3 binding affinity and molecular weight and rotatable bonds of molecule C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnc3n2CCCC3)C1.
|
CC(C[NH+](CNC(=O)c1cnc2n1CCCC2)CC(C)(C)N1CCC[C@H](C)C1)C(=O)[O-]
|
Help me reduce the number of hydrogen bond acceptors in molecule COc1ccc(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1F
|
CC(C)CCC(C)c1ccc(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1F
|
help me improve hydrogen bond acceptors and H-bond donors of molecule CS(=O)(=O)C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCNCC1.
|
CS(=O)(=O)C1(C(=O)NCc2cc([N+](=O)[O-])ccc2C(=NN)NN)CCNCC1
|
Help me reduce the QED of molecule O=C(O)[C@H]1CCCC[C@@H]1COc1cc(CO)cc(C(F)(F)F)c1 to make it less like a drug
|
NNC(=O)C(=O)NC(F)(F)c1cc(CO)cc(OC[C@H]2CCCC[C@@H]2C(=O)O)c1
|
Help me reduce the QED of molecule CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O to make it less like a drug
|
CCCC(CCBr)C[C@@H](C)CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O
|
help me reduce LogP value and QED score and improve GSK3β inhibitory activity and synthetic accessibility of molecule CCn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@@H](NCC(C)C)C12CCC2.
|
CCn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@@H](NC[C@@H](C)C(N)=[NH2+])C12CCC2
|
Help me improve the QED of molecule O=C1CCSc2ccc(C(=O)NCCc3ccccc3-c3cc(Br)ccc3Br)cc2N1 to make it more like a drug
|
Cc1ccccc1CCNC(=O)c1ccc2c(c1)NC(=O)CCS2
|
Help me reduce the number of hydrogen bond acceptors in molecule COCCNC[C@H]1CCCN1C(=O)Cc1ccc(B(O)O)c(C)c1
|
COCCNC[C@H]1CCCN1C(=O)Cc1ccc(C)c(C)c1
|
help me reduce QED score and improve molecular weight of molecule CCn1ccnc1CN1C[C@H]2CC[C@H]1[C@@H]2Nc1c(F)cccc1F.
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CCCc1ccc(-c2cccc(F)c2N[C@H]2[C@@H]3CC[C@@H]2CN3Cc2nccn2CC)s1
|
help me improve molecular weight and synthetic accessibility of molecule COc1ccccc1[C@H](NC(=O)CO[C@H]1CCCC[C@H]1C)c1ccccc1.
|
C=C[C@@H](CCCCCCC)Oc1ccccc1[C@H](NC(=O)CO[C@H]1CCCC[C@H]1C)c1ccccc1
|
help me improve GSK3β inhibitory activity and JNK3 binding affinity of molecule Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@]4(O)CCN(C(=O)OC(C)(C)C)C4)C3)C2)c1.
|
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)c4cc(-c5csc6ccccc56)ccc4F)CCO3)C2)C1
|
help me reduce hydrogen bond acceptors and H-bond donors of molecule O=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1cnc2c(B(O)O)cccn2c1=O.
|
Cc1cccn2c(=O)c(C(=O)NC3CC(=O)N(CCN4CCOCC4)C3)cnc12
|
help me improve molecular weight and rotatable bonds of molecule CCCC[C@H]1C[C@@H](NC(C)(C)C(C)(C)O)CCN1C(=O)OC(C)(C)C.
|
CCCC[C@H]1C[C@@H](NC(C)(C)C(C)(C)O)CCN1C(=O)OC(C)(C)CCC1CCC(C)CC1
|
Help me make the molecule CCN(Cc1cccc(-c2ccc(C(O)(CC)CC)s2)c1)c1ccccn1 with more hydrogen bond acceptors
|
CCN(Cc1cccc(-c2ccc(C(=O)[O-])s2)c1)c1ccccn1
|
help me reduce DRD2 binding affinity and improve synthetic accessibility of molecule CN1CCN(c2nccc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)CC1.
|
CCC(CC)(CC)SN1CCN(c2nccc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)CC1
|
help me improve DRD2 binding affinity and JNK3 binding affinity and molecular weight of molecule CNC(=O)C1CCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1.
|
CNC(=O)C1CCN(Cc2nc(-c3cc(OC)ccc3OC)oc2-c2ccc(Cl)c(Cl)c2)C1
|
help me improve molecular weight and synthetic accessibility of molecule COc1cccnc1CCC(=O)N[C@H]1CCCC[C@@H]1N(C)C.
|
CCCC(CCBr)CN(C)[C@H]1CCCC[C@@H]1NC(=O)CCc1ncccc1OC
|
Help me improve the QED of molecule CCOc1ccc(CC(=O)N=c2sc3cc(C)ccc3n2CCOC(C)c2ccc(Cl)cc2)cc1 to make it more like a drug
|
CCOc1ccc(CC(=O)N=c2sc3cc(C)ccc3n2CCOC)cc1
|
help me improve GSK3β inhibitory activity and synthetic accessibility of molecule Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-].
|
C=C[C@@H](CCCCCCC)C(OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1
|
help me reduce LogP value and rotatable bonds of molecule CC(CCCC[C@@H]1CCc2nc(NC(=O)c3csc4c3CCCO4)sc2C1)n1cnnn1.
|
C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3csc4c3CCCO4)sc2C1)n1cnnn1
|
help me improve JNK3 binding affinity and molecular weight and synthetic accessibility of molecule CCc1cccc(NC(N)=[NH+]CCc2ccc(OC)c(OC(F)F)c2)c1.
|
CCc1cccc(NC(N)=[NH+]CCc2ccc(OC)c(OC(F)c3ccc(SF)c(F)c3)c2)c1
|
Help me make the molecule CCc1c(C(=O)COc2ccc(NC3CCCCC3)cc2)[nH]c(C)c1C(C)=O with more hydrogen bond donors
|
CCc1c(C(=O)COc2ccc(NC3CCCCC3)cc2)[nH]c(C)c1CN(C)CC([NH3+])C(=O)[O-]
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help me reduce molecular weight and rotatable bonds and synthetic accessibility of molecule CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc(C(C)SC(CC)(CC)CC)s1.
|
CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)s1
|
Help me make the molecule Cc1nc(=NC(=O)[C@H](C)c2ccc(F)cc2F)n(-c2ccccc2)[nH]1 with more hydrogen bond acceptors
|
CCC(CC)(CC)SC(C(=O)N=c1nc(C)[nH]n1-c1ccccc1)c1ccc(F)cc1F
|
Help me improve the QED of molecule CC(=O)NC(C(=O)O)C(O)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O to make it more like a drug
|
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O
|
help me reduce QED score and improve molecular weight and rotatable bonds of molecule COc1ccc(CN2CCC[C@@H](NC(=O)c3c[nH]cc3C)[C@@H]2C)cc1.
|
CCC(CC)(CC)SOc1ccc(CN2CCC[C@@H](NC(=O)c3c[nH]cc3C)[C@@H]2C)cc1
|
Help me make the molecule CCOc1ccccc1NC(=O)C1(C(=O)NCCOC)CC1 with more hydrogen bond donors
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CCOc1ccccc1NC(=O)C1(C(=O)NCCOC(N)=[NH2+])CC1
|
help me reduce molecular weight and improve QED score of molecule CCCC(CCBr)CC(C)C[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC1CCC1.
|
CC(C)C[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC1CCC1
|
help me reduce QED score and improve synthetic accessibility of molecule COC(=O)c1sc2cc(NC(=O)Cn3nc(C(F)(F)F)cc3C)ccc2c1Cl.
|
CCCCCCC(Cn1nc(C(F)(F)F)cc1C)C(=O)Nc1ccc2c(Cl)c(C(=O)OC)sc2c1
|
help me reduce JNK3 binding affinity and molecular weight of molecule C=C[C@@H](CCCCCCC)OC[C@H](CC)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1.
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CC[C@@H](COC)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1
|
help me reduce molecular weight and rotatable bonds of molecule CC1CCC(CCC(C)N2C[C@H](c3noc([C@@H]4C[C@H]4c4cccc(F)c4F)n3)CC2=O)CC1.
|
CC(C)N1C[C@H](c2noc([C@@H]3C[C@H]3c3cccc(F)c3F)n2)CC1=O
|
help me reduce QED score and improve DRD2 binding affinity of molecule Cc1nscc1C(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(F)cc2)C1.
|
Cc1nscc1C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)cc2)C1
|
help me improve rotatable bonds and synthetic accessibility of molecule O=C(COC(=O)C1CC(=O)N(C2CCCC2)C1)Nc1cccc(Cl)c1Cl.
|
CC(C)C(C)SSC(C)(C)c1c(Cl)cccc1NC(=O)COC(=O)C1CC(=O)N(C2CCCC2)C1
|
help me reduce LogP value and QED score of molecule C=C(C)CN(C)S(=O)(=O)c1c(CNC)n[nH]c1C.
|
C=C(C)CN(C)S(=O)(=O)c1c(CNC)n[nH]c1B(O)O
|
help me reduce QED score and improve DRD2 binding affinity and molecular weight of molecule C[C@@H](C[C@H]1CCCO1)NC(=O)NCc1ccccc1C(F)(F)F.
|
CCCC(CCBr)C[C@@H](C[C@H]1CCCO1)NC(=O)NCc1ccccc1C(F)(F)F
|
help me reduce DRD2 binding affinity and LogP value of molecule CCc1nnsc1C(=O)NCC1CCCc2ccccc21.
|
CCc1nnsc1C(=O)NC[NH+](CC(C)C(=O)[O-])CC1CCCc2ccccc21
|
help me reduce GSK3β inhibitory activity and JNK3 binding affinity of molecule CC(c1ccc(Cl)cc1)N(CCC(F)(F)F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1.
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C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)(F)F)n1Cc1cccnc1-n1cccn1
|
Help me reduce the number of hydrogen bond acceptors in molecule CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@H]2[C@@H]3COC[C@H]2CN(C(=O)c2cnc4ccoc4c2)C3)C1
|
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(C)(C)C[C@H]2[C@@H]3COC[C@H]2CN(C(=O)c2cnc4ccoc4c2)C3)C1
|
Help me reduce the number of hydrogen bond acceptors in molecule CC(C)(C=C(C#N)C(=O)N1CCCC(Nc2ncnc(N)c2C(=N)c2ccc(Oc3ccccc3)nc2F)C1)N1CCOCC1
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C=C(C=CC(=CC)c1ccc(C(=N)c2c(N)ncnc2NC2CCCN(C(=O)C(C#N)=CC(C)(C)N3CCOCC3)C2)c(F)n1)C(C)Cc1ccccc1
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help me reduce QED score and improve molecular weight and synthetic accessibility of molecule CC1CC(C(=O)N2CCCC[C@H]2CNC(=O)c2cncs2)C1.
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CC1CC(C(=O)N2CCCC[C@H]2C[NH+](CNC(=O)c2cncs2)CC(C)C(=O)[O-])C1
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help me reduce QED score and improve rotatable bonds of molecule CS(=O)(=O)N1CCCC(CN2Cc3cccc(N)c3C2)C1.
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CCCC(CCBr)CS(=O)(=O)N1CCCC(CN2Cc3cccc(N)c3C2)C1
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help me improve DRD2 binding affinity and GSK3β inhibitory activity of molecule Cc1nccnc1CN1CC[C@H]1CN(C)C(=O)CC1(C)CCCCC1.
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CN(C[C@@H]1CCN1Cc1nccnc1-c1ccc(Cl)c(Cl)c1)C(=O)CC1(C)CCCCC1
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Help me reduce the number of hydrogen bond acceptors in molecule Cc1ccc(B(O)O)c(S(=O)(=O)NC2CC(C)N(C#N)C2)c1
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Cc1ccc(C)c(S(=O)(=O)NC2CC(C)N(C#N)C2)c1
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help me reduce LogP value and improve hydrogen bond acceptors and H-bond donors of molecule CC[C@@H]1CN(CC)CCN1C(=O)N[C@H](C)Cc1ccc(C)cc1C.
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CC[C@@H]1CN(CC)CCN1C(=O)N[C@H](C)Cc1ccc(B(O)O)cc1C
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help me reduce H-bond donors and JNK3 binding affinity and improve LogP value of molecule CCN(CC)c1ccc(N=C2C(C(C)C(N)=[NH2+])=Nn3c2nc(C)c(C)c3=O)c(C)c1.
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CCN(CC)c1ccc(N=C2C(C(C)C)=Nn3c2nc(C)c(C)c3=O)c(C)c1
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help me reduce molecular weight and improve QED score of molecule CCC(CC)(CC)SOc1cccc(C(=O)NCCNc2nc(C)cnc2C)c1.
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COc1cccc(C(=O)NCCNc2nc(C)cnc2C)c1
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Help me improve the QED of molecule CC[C@@H](C(=O)Nc1n[nH]c2ccc(OC(N)=[NH2+])cc12)N(CC)CC to make it more like a drug
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CC[C@@H](C(=O)Nc1n[nH]c2ccc(OC)cc12)N(CC)CC
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help me reduce LogP value and improve rotatable bonds and synthetic accessibility of molecule CC(C)(C)OC(=O)N1CCC(C(=N[I-]O)c2cccc(C(F)(F)F)c2F)CC1.
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C[NH+]1CCC([NH+](C)CC(F)(F)c2cccc(C(=N[I-]O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)CC1
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help me reduce H-bond donors and improve DRD2 binding affinity and QED score of molecule CC(C)N1CC[C@@H](NC(=O)c2cccc3cnccc23)C(C)(C(N)=[NH2+])C1.
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CC(C)N1CC[C@@H](NC(=O)c2cccc3cnccc23)C(C)(C)C1
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help me reduce hydrogen bond acceptors and H-bond donors and improve LogP value of molecule Cc1cc(B(O)O)cc(Cl)c1NC=C(C#N)C(=O)NC1CCCCC1.
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Cc1cc(C)c(NC=C(C#N)C(=O)NC2CCCCC2)c(Cl)c1
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Help me make the molecule CCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C)ccc1C with more hydrogen bond donors
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CCCN(CC(=O)N(C)C(N)=[NH2+])S(=O)(=O)c1cc(C)ccc1C
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help me reduce synthetic accessibility and improve JNK3 binding affinity of molecule C=CC(c1cccc(-c2cncc(-c3cc4c(-c5cc6c(-c7ccc(C(C)=O)s7)cccc6[nH]5)n[nH]c4cn3)c2)c1)C1CCCC1.
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CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCCC7)c6)cc45)cc23)s1
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Help me make the molecule CC(=O)Nc1cccc(OCCCCCOc2ccc3c4ccccc4n(CCc4ccc(I)cc4)c3c2)c1 with more hydrogen bond acceptors
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CC(=O)Nc1cccc(OCCCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1
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help me reduce molecular weight and improve QED score of molecule CCCCCCCCOOc1cc(OC)cc2nc(CO[C@@H]3CCCC[C@@H]3C)nc(O)c12.
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COc1cc(OC)c2c(O)nc(CO[C@@H]3CCCC[C@@H]3C)nc2c1
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help me improve hydrogen bond acceptors and JNK3 binding affinity of molecule Cc1cc(C=Cc2ccc(N(C)CCC#N)cc2)n2c1c(CCN)c1[n+]2=CC=C1.
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CN(CCC#N)c1ccc(C=Cc2cc(-c3nc4cc(Br)ccc4s3)c3c(CCN)c4[n+](n23)=CC=C4)cc1
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help me reduce hydrogen bond acceptors and synthetic accessibility and improve DRD2 binding affinity of molecule CC(C)C[NH+](CC(=O)[O-])C(F)(F)c1cc(NC(=O)N(CCN2CCCC2C#N)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F.
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N#Cc1cccc(-c2ccc(N(CCN3CCCC3C#N)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1
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help me reduce LogP value and QED score and improve hydrogen bond acceptors and synthetic accessibility of molecule CC(=O)NC(CC(C)C)C(=O)N1CC(=O)C2C1CCN2C(=O)O.
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CC(=O)NC(C[NH+](CC(C)C)CC(C)C(=O)[O-])C(=O)N1CC(=O)C2C1CCN2C(=O)O
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help me reduce synthetic accessibility and improve LogP value of molecule CC(C)C[NH+](CC(C)C(=O)[O-])CN(C)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21.
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CC(C)CN(C)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21
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help me reduce rotatable bonds and synthetic accessibility of molecule CCC(CC)(CC)SN(C(=O)c1cccnc1)[C@H]1CCN(Cc2ccccc2C2CC2)C1.
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CN(C(=O)c1cccnc1)[C@H]1CCN(Cc2ccccc2C2CC2)C1
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help me improve GSK3β inhibitory activity and hydrogen bond acceptors and H-bond donors of molecule C=CCCC(C1=NC(c2ccccc2)C(c2ccccc2)N1)c1ccc(OC)c(OC)c1.
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C=CCCC(C1=NC(NCCN)C(c2ccccc2)N1)c1ccc(OC)c(OC)c1
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help me improve LogP value and synthetic accessibility of molecule CCOC(C)(C)CN1C[C@H]2C[C@H]1CN(C(=O)c1ccco1)C2.
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CCOC(C)(CN1C[C@H]2C[C@H]1CN(C(=O)c1ccco1)C2)SC(CC)(CC)CC
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help me reduce molecular weight and synthetic accessibility and improve DRD2 binding affinity and QED score of molecule CCC(CC)(CC)SN(Cc1ccco1)C(=O)CN1CCCC1Cc1ccccc1.
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CN(Cc1ccco1)C(=O)CN1CCCC1Cc1ccccc1
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help me reduce JNK3 binding affinity and improve hydrogen bond acceptors and synthetic accessibility of molecule CC(O)c1cccc(-c2ccc(C(F)(F)F)cc2NC(=O)Nc2cnc(Oc3ccc(-c4cc(F)cnc4N)cc3)nc2)c1.
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CC(C(O)CO)C(O)C(O)c1ccc(C(F)(F)F)cc1NC(=O)Nc1cnc(Oc2ccc(-c3cc(F)cnc3N)cc2)nc1
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Help me reduce the QED of molecule Cc1cnc(CNc2cc3ccccc3c(=O)[nH]2)o1 to make it less like a drug
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NC(=[NH2+])c1cnc(CNc2cc3ccccc3c(=O)[nH]2)o1
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