aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42341 | 2.55 | 298.75 | C13H11O3N2ClS | Cc1cc(Cl)ncc1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD42342 | 1.83 | 348.42 | C17H20O4N2S | Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCO)c2)c1 |
|
AD42343 | 2.87 | 337.42 | C15H15O4NS2 | COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(S)cc2)c1 |
|
AD42344 | 3.39 | 334.78 | C16H11O3N2ClS | O=S(=O)(Nc1ccc(O)cc1)c1cccc2c(Cl)nccc12 |
|
AD42345 | 2.05 | 349.12 | C12H7O3N5Br | O=C(Nc1[nH]c(=O)nc2c1N=C[N]2)Oc1ccc(Br)cc1 |
|
AD42346 | 2.44 | 320.29 | C16H10O3N5 | O=C(Nc1[nH]c(=O)nc2c1N=C[N]2)Oc1ccc2ccccc2c1 |
|
AD42347 | 3.02 | 325.39 | C17H15O2N3S | Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(S)cc3)cc2)[nH]1 |
|
AD42348 | 3.15 | 297.76 | C14H12O3NClS | Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD42349 | 1.51 | 332.58 | C9H8O3NFClSBr | O=S(=O)(NCCO)c1cc(Br)c(Cl)cc1F |
|
AD42350 | 1.51 | 332.58 | C9H8O3NFClSBr | O=S(=O)(NCCO)c1cc(Cl)c(Br)cc1F |