aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42591 | 1.34 | 318.34 | C13H12O3N5S | COc1cccc(CS(=O)(=O)Nc2ncnc3c2N=C[N]3)c1 |
|
AD42592 | 0.72 | 289.3 | C11H9O2N6S | O=S(=O)(Cc1cccnc1)Nc1ncnc2c1N=C[N]2 |
|
AD42593 | 2.63 | 357.2 | C14H8O2N5Cl2S | O=S(=O)(Cc1cc(Cl)ccc1Cl)Nc1ncnc2c1N=C[N]2 |
|
AD42594 | 2.63 | 357.2 | C14H8O2N5Cl2S | O=S(=O)(Cc1cccc(Cl)c1Cl)Nc1ncnc2c1N=C[N]2 |
|
AD42595 | 0.72 | 289.3 | C11H9O2N6S | O=S(=O)(Cc1ccccn1)Nc1ncnc2c1N=C[N]2 |
|
AD42596 | 0.89 | 289.3 | C11H9O2N6S | Cc1ccnc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1 |
|
AD42597 | 3.24 | 255.32 | C16H17O2N | CC(C)Oc1ccc(-c2ccccc2C(N)=O)cc1 |
|
AD42598 | 2.45 | 325.73 | C13H7O2N4FClS | O=S(=O)(Nc1ncnc2c1C(F)=C[N]2)c1ccc(Cl)cc1 |
|
AD42599 | 1.24 | 309.72 | C11H6O2N6ClS | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cccc(Cl)n1 |
|
AD42600 | 2.82 | 300.79 | C12H9O2N2ClS2 | O=S(=O)(Nc1ccc(S)cc1)c1cccc(Cl)n1 |