aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34101 | -0.19 | 243.28 | C10H13O4NS | CS(=O)(=O)c1ccc(C(=O)NCCO)cc1 |
|
AD34102 | 0.21 | 216.2 | C11H8O3N2 | NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 |
|
AD34103 | 1.56 | 230.06 | C8H8O2NBr | COc1ccc(C(N)=O)c(Br)c1 |
|
AD34104 | 0.84 | 233.68 | C9H8O3NClS | CS(=O)(=O)c1ccc(C(N)=O)c(Cl)c1 |
|
AD34105 | 1.1 | 236.24 | C10H15ON2F3 | CC(CN1CC2(CCN2C=O)C1)C(F)(F)F |
|
AD34106 | 0.47 | 232.23 | C10H14O2N2F2 | O=CN1CCCC12CCN(CC(F)F)C2=O |
|
AD34107 | 0.47 | 232.23 | C10H14O2N2F2 | O=CN1CCC2C1CCC(=O)N2CC(F)F |
|
AD34108 | 0.46 | 204.22 | C9H14ON2F2 | O=C1N(CC(F)F)CCC12CCNC2 |
|
AD34109 | 0.6 | 204.22 | C9H14ON2F2 | O=C1CCC2NCCC2N1CC(F)F |
|
AD34110 | 0.61 | 204.22 | C9H14ON2F2 | O=C1N(CC(F)F)CCC12CCCN2 |