aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42491 | 1.66 | 353.18 | C11H7O2N5SBr | O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cncc(Br)c1 |
|
AD42492 | 2.4 | 330.37 | C13H8O2N5S2 | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1csc2ccccc12 |
|
AD42493 | 2.76 | 253.3 | C16H15O2N | NC(=O)C=Cc1cccc(OCc2ccccc2)c1 |
|
AD42494 | 0.68 | 329.32 | C13H9O3N6S | O=C1Cc2cc(S(=O)(=O)Nc3ncnc4c3N=C[N]4)ccc2N1 |
|
AD42495 | 2.63 | 357.2 | C14H8O2N5Cl2S | O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ncnc2c1N=C[N]2 |
|
AD42496 | 2.56 | 329.79 | C12H8O3N3ClS2 | O=S(=O)(Nc1ccc(O)cc1)c1c(Cl)nc2sccn12 |
|
AD42497 | 2.13 | 334.41 | C13H12O2N5S2 | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cc2c(s1)CCCC2 |
|
AD42498 | 2.44 | 333.42 | C14H13O2N4S2 | O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cc2c(s1)CCCC2 |
|
AD42499 | 2.74 | 351.41 | C14H12O2N4FS2 | O=S(=O)(Nc1ncnc2c1C(F)=C[N]2)c1cc2c(s1)CCCC2 |
|
AD42500 | 3.13 | 309.41 | C14H15O3NS2 | O=S(=O)(Nc1ccc(O)cc1)c1cc2c(s1)CCCC2 |