aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39861 | 1.51 | 297.32 | C13H9ON6S | O=C(NC(=S)Nc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD39862 | 1.65 | 315.31 | C13H8ON6FS | O=C(NC(=S)Nc1nc(F)nc2c1N=C[N]2)c1ccccc1 |
|
AD39863 | 1.48 | 299.72 | C10H8O2N6ClS | CCOC(=O)NC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD39864 | 0.84 | 296.31 | C11H11O2N5FS | CCOC(=O)CNC(=S)Nc1ncnc2c1C(F)=C[N]2 |
|
AD39865 | 0.86 | 298.13 | C8H9O3NFSBr | O=S(=O)(NCCO)c1cc(Br)ccc1F |
|
AD39866 | 1.66 | 316.37 | C14H14O2N5S | O=S(=O)(CCCNc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD39867 | 0.55 | 282.3 | C12H18O4N4 | CC(C)(C)OC(=O)Nc1cnc(C(=O)NCCO)cn1 |
|
AD39868 | 0.94 | 289.29 | C15H15O5N | O=C(NCCO)c1occc(=O)c1OCc1ccccc1 |
|
AD39869 | 1.86 | 275.33 | C14H13O3NS | CS(=O)(=O)c1ccc(-c2ccccc2C(N)=O)cc1 |
|
AD39870 | 0.84 | 286.13 | C10H12O2N3Br | O=C(NCCO)c1nc(C2CC2)ncc1Br |