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1 | | -No.,Class,SMILES,pIC50,Y-Label,MW,RBN,nCIC,nHDon,nHAcc,ALogP,TPSA,Qm,Energy,Dipole moment,HOMO,LUMO,HOMO-LUMO gap,Article Title,Reference |
| 1 | +No.,Class,SMILES,pIC50,Y-Label,MW,RBN,nCIC,nHDon,nHAcc,ALogP,TPSA,Qm,Energy,Dipole moment,HOMO,LUMO,HOMO-LUMO gap,Article Title,Reference |
2 | 2 | 1,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)[H],5.15490196,Inactive,232.31,2,2,3,4,1.285,72.19,0.279746515,-765.0037552,4.082,-0.20209,-0.02786,0.17423,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-72 |
3 | 3 | 2,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)C,4.494850022,Inactive,246.34,2,2,2,4,1.491,63.4,0.266307833,-804.3133762,3.5147,-0.20061,-0.02513,0.17548,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-73 |
4 | 4 | 3,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CC,4.552841969,Inactive,260.37,3,2,2,4,1.84,63.4,0.260490282,-843.6297884,3.4409,-0.20041,-0.02487,0.17554,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-74 |
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