aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42271 | -0.41 | 239.23 | C10H13O4N3 | C=C(C)C(=O)OCCNc1c[nH]c(=O)[nH]c1=O |
|
AD42272 | 0.59 | 305.15 | C9H9O3N2SBr | N#Cc1cc(S(=O)(=O)NCCO)ccc1Br |
|
AD42273 | -0.04 | 237.24 | C8H7O2N5S | N=C(Nc1c[nH]c(=O)[nH]c1=O)c1nccs1 |
|
AD42274 | 2.37 | 288.33 | C14H12O3N2S | Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C#N |
|
AD42275 | 3.22 | 298.29 | C17H14O5 | CCOc1cc2occ(-c3ccc(O)cc3)c(O)c-2c(=O)c1 |
|
AD42276 | 2.82 | 254.24 | C15H10O4 | O=c1cc(O)cc2oc(-c3ccccc3)cc(O)c1-2 |
|
AD42277 | 0.84 | 162.4 | C5H2ONCl3 | NC(=O)C(Cl)(Cl)Cl |
|
AD42278 | 2.45 | 286.72 | C16H11O2N2Cl | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O |
|
AD42279 | 3.26 | 352.35 | C19H16O5N2 | COC(=O)c1ccc2ncc(C(=O)OC)c(Nc3ccc(O)cc3)c2c1 |
|
AD42280 | 3.26 | 352.35 | C19H16O5N2 | COC(=O)c1ccc2ncc(C(=O)OC)c(Nc3cccc(O)c3)c2c1 |