aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35261 | 0.62 | 227.26 | C10H17O3N3 | CC(C)(C)OC(=O)N(CCC#N)CC(N)=O |
|
AD35262 | 1.63 | 225.24 | C10H8O2NFS | NS(=O)(=O)c1ccc(F)c2ccccc12 |
|
AD35263 | -0.03 | 244.25 | C9H9O3N2FS | N#Cc1ccc(F)c(S(=O)(=O)NCCO)c1 |
|
AD35264 | 0.86 | 216.65 | C8H5O2N2ClS | N#Cc1ccc(Cl)c(S(N)(=O)=O)c1 |
|
AD35265 | 1.68 | 213.3 | C10H15O2NS | CCCCc1ccc(S(N)(=O)=O)cc1 |
|
AD35266 | 1.05 | 226.26 | C9H10O3N2S | CC(C#N)S(=O)(=O)Nc1ccc(O)cc1 |
|
AD35267 | 1.49 | 224.06 | C9H6ONBr | NC(=O)c1ccc(C#CBr)cc1 |
|
AD35268 | 0.86 | 216.65 | C8H5O2N2ClS | N#Cc1ccc(Cl)cc1S(N)(=O)=O |
|
AD35269 | 1.31 | 213.2 | C11H7O2N3 | N#Cc1cccc(-c2cc(C(N)=O)no2)c1 |
|
AD35270 | 0.14 | 240.28 | C10H12O3N2S | Cc1ccc(S(=O)(=O)NCCO)cc1C#N |