aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41381 | -0.11 | 323.35 | C13H15O4N4S | COc1cc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c(C)c1 |
|
AD41382 | 1.59 | 345.36 | C15H13O4N4S | COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD41383 | 2.53 | 235.23 | C9H8ONF3S | CSc1cc(C(N)=O)cc(C(F)(F)F)c1 |
|
AD41384 | 2.44 | 234.69 | C13H11ON2Cl | Cn1c(C(N)=O)ccc1-c1ccc(Cl)cc1 |
|
AD41385 | 0.2 | 331.74 | C12H9O3N4FClS | NC(=O)C1=C(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)[N]C=N1 |
|
AD41386 | 0.71 | 348.19 | C13H9O3N4Cl2S | NC(=O)C1=C(NS(=O)(=O)Cc2cc(Cl)ccc2Cl)[N]C=N1 |
|
AD41387 | 0.71 | 348.19 | C13H9O3N4Cl2S | NC(=O)C1=C(NS(=O)(=O)Cc2cccc(Cl)c2Cl)[N]C=N1 |
|
AD41388 | 2.25 | 314.75 | C13H11O4N2ClS | COc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD41389 | 2.14 | 225.46 | C9H3ON2Cl3 | NC(=O)c1cnc(Cl)c(Cl)c1Cl |
|
AD41390 | 2.09 | 222.63 | C11H7O2N2Cl | NC(=O)c1cc(-c2cccc(Cl)c2)no1 |