aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42531 | 2.72 | 348.8 | C15H11O2N5ClS | O=S(=O)(Nc1nc(Cl)nc2c1N=C[N]2)c1ccc(C2CC2)cc1 |
|
AD42532 | 1.94 | 365.78 | C15H10O4N4ClS | COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD42533 | 2.35 | 338.37 | C16H12O2N5S | Cc1cnc2c(S(=O)(=O)Nc3ncnc4c3C=C[N]4)cccc2c1 |
|
AD42534 | 2.84 | 217.31 | C14H19ON | NC(=O)C(c1ccccc1)C1CCCCC1 |
|
AD42535 | 2.53 | 330.39 | C15H16O2N5S | CCCCc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42536 | 2.57 | 366.22 | C13H10O2N4SBr | Cc1cc(Br)cc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c1 |
|
AD42537 | 1.67 | 345.36 | C15H13O4N4S | CCOC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1 |
|
AD42538 | 2.04 | 359.23 | C11H13O2N5SBr | O=S(=O)(CC1CCCC1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42539 | 2.63 | 345.4 | C16H17O3N4S | COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD42540 | 0.88 | 348.19 | C13H9O3N4Cl2S | Cc1c(Cl)ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1Cl |