aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19761 | 3.73 | 340.41 | C21H18N5 | C1=Nc2c(ncnc2NCC2c3ccccc3CCc3ccccc32)[N]1 |
|
AD19762 | 3.42 | 286.38 | C14H10ON2S2 | O=C1C(=Cc2cccs2)N=C(S)N1c1ccccc1 |
|
AD19763 | 1.53 | 689.93 | C35H67O10N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OCCCNC(C)=O)C1(C)O |
|
AD19764 | 12.48 | 1059.8 | C47H19N5F18S2 | CN1CC2C3=NC(=C(c4c(F)c(F)c(S)c(F)c4F)C4=NC(=C(c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)C(c5c(F)c(F)c(S)c(F)c5F)=C5C=CC(=N5)C3c3c(F)c(F)c(F)c(F)c3F)C=C4)C2C1 |
|
AD19765 | 4.47 | 446.67 | C28H46O4 | CC(C=CC(C)C1CC(O)C2=C3CC(O)C4CC(O)CCC4(C)C3CCC21C)C(C)CO |
|
AD19766 | 4.37 | 306.36 | C20H18O3 | Cc1cc(O)c(C(=O)CCc2ccc3ccccc3c2)c(O)c1 |
|
AD19767 | 2.99 | 314.34 | C18H18O5 | Cc1cc(O)c(C(=O)CCc2ccc3c(c2)OCCO3)c(O)c1 |
|
AD19768 | 0.37 | 203.2 | C7H7O5S | O=S(=O)([O-])OCc1ccccc1O |
|
AD19769 | 3.22 | 327.69 | C15H9ON3F3Cl | O=c1n(Cc2ccccc2Cl)nc2cc(C(F)(F)F)ccn12 |
|
AD19770 | 2.96 | 338.59 | C14H9ON3ClBr | O=c1n(Cc2ccccc2Cl)nc2ccc(Br)cn12 |