aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39211 | -0.12 | 293.33 | C12H13O3N4S | Cc1ccc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD39212 | 1.75 | 302.34 | C13H12O2N5S | CCc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD39213 | 0.22 | 307.35 | C13H15O3N4S | CCCc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD39214 | 0.39 | 307.35 | C13H15O3N4S | CC(C)c1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD39215 | 1.84 | 308.73 | C12H7O2N5ClS | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccccc1Cl |
|
AD39216 | -0.08 | 299.72 | C11H8O3N4ClS | NC(=O)C1=C(NS(=O)(=O)c2ccccc2Cl)[N]C=N1 |
|
AD39217 | 1.9 | 314.76 | C10H5O2N5ClS2 | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)s1 |
|
AD39218 | -0.02 | 305.75 | C9H6O3N4ClS2 | NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)s2)[N]C=N1 |
|
AD39219 | -0.08 | 299.72 | C11H8O3N4ClS | NC(=O)C1=C(NS(=O)(=O)c2cccc(Cl)c2)[N]C=N1 |
|
AD39220 | 1.84 | 308.73 | C12H7O2N5ClS | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cccc(Cl)c1 |