aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08771 | 0.13 | 289.25 | C13H11O5N3 | O=C(NC(=O)c1c[nH]c(=O)[nH]c1=O)OCc1ccccc1 |
|
AD08772 | 2.54 | 316.16 | C14H10ON3Br | Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O |
|
AD08773 | 1.88 | 152.15 | C8H8O3 | O=C(O)OCc1ccccc1 |
|
AD08774 | 2.02 | 316.14 | C15H11O4NCl2 | CNC(=O)COC1=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 |
|
AD08775 | 4.87 | 471.7 | C30H47O4 | CC1(C)CCC2(C(=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD08776 | 8.05 | 642.93 | C40H58O3N4 | COc1cccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c1 |
|
AD08777 | 1.75 | 359.35 | C18H13O2N7 | N#Cc1ccc(NN=C2C(=O)N(Cc3cn(O)nn3)c3ccccc32)cc1 |
|
AD08778 | 3.24 | 1190.19 | C61H59O17N9 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(-c4ccc5[nH]ccc5c4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1O |
|
AD08779 | 4.55 | 308.36 | C17H12O2N2S | COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1 |
|
AD08780 | 1.36 | 263.28 | C14H11N6 | NC1=NN(Cc2ccccc2)c2ncnc3c2C1=C[N]3 |