aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41321 | 0.61 | 321.38 | C14H17O3N4S | CCCCc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD41322 | 0.34 | 358.2 | C11H10O3N4SBr | Cc1cc(Br)cc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD41323 | 0.17 | 362.16 | C10H7O3N4FSBr | NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2Br)[N]C=N1 |
|
AD41324 | 0.55 | 331.34 | C13H11O3N6S | CNC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD41325 | 0.86 | 330.35 | C14H12O3N5S | CNC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1 |
|
AD41326 | 0.4 | 337.38 | C14H17O4N4S | COc1ccc(C(C)C)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD41327 | 1.97 | 214.22 | C12H10O2N2 | NC(=O)c1ccnc(Oc2ccccc2)c1 |
|
AD41328 | 0.2 | 331.74 | C12H9O3N4FClS | NC(=O)C1=C(NS(=O)(=O)Cc2ccc(Cl)cc2F)[N]C=N1 |
|
AD41329 | -0.03 | 323.35 | C13H15O4N4S | CCOc1ccc(C)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD41330 | 1.83 | 236.01 | C7H4ONF2Br | NC(=O)c1ccc(F)c(F)c1Br |