aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42351 | 2.72 | 317.4 | C14H11O2N3S2 | O=S(=O)(Nc1ccc(S)cc1)c1ccc2nccnc2c1 |
|
AD42352 | 2.94 | 289.31 | C14H11O4NS | O=S(=O)(Nc1ccc(O)cc1)c1ccc2occc2c1 |
|
AD42353 | 2.85 | 316.34 | C15H12O4N2S | O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2cnco2)cc1 |
|
AD42354 | 2.82 | 300.79 | C12H9O2N2ClS2 | O=S(=O)(Nc1ccc(S)cc1)c1ccc(Cl)nc1 |
|
AD42355 | 3.41 | 305.38 | C14H11O3NS2 | O=S(=O)(Nc1ccc(O)cc1)c1csc2ccccc12 |
|
AD42356 | 2.98 | 327.45 | C18H21ON3S | CN1CCN(c2ccccc2C(=O)Nc2ccc(S)cc2)CC1 |
|
AD42357 | 0.68 | 157.21 | C8H15O2N | COC(=O)C1CCCC(N)C1 |
|
AD42358 | 2.85 | 330.45 | C18H22O2N2S | Cc1ccc(S(=O)(=O)N2CCCC(N)Cc3ccccc32)cc1 |
|
AD42359 | 2.89 | 319.17 | C13H8O3N2Cl2S | O=S(=O)(Nc1ccc(O)cc1)c1cnc(Cl)c(Cl)c1 |
|
AD42360 | 2.4 | 366.22 | C13H10O2N4SBr | O=S(=O)(Cc1cccc(Br)c1)Nc1ncnc2c1C=C[N]2 |