aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43731 | 3.12 | 310.38 | C16H14ON4S | Cc1cccc(-n2cnc(C(=O)Nc3ccc(S)cc3)n2)c1 |
|
AD43732 | 3.14 | 301.37 | C16H15O3NS | O=C(Nc1ccc(S)cc1)C1CCOc2ccccc2O1 |
|
AD43733 | 1.19 | 351.4 | C17H25O5N3 | CC(C)(C)OC(=O)N1CCC(Oc2ncccc2C(=O)NCCO)C1 |
|
AD43734 | 3.17 | 303.38 | C16H17O3NS | COc1ccc(OC)c(CC(=O)Nc2ccc(S)cc2)c1 |
|
AD43735 | 1.37 | 314.59 | C9H9O3NClSBr | O=S(=O)(NCCO)c1ccc(Br)cc1Cl |
|
AD43736 | 1.9 | 322.59 | C12H13O3NClBr | Cc1cc(Br)cc(Cl)c1OCC(=O)NCCO |
|
AD43737 | 3.19 | 318.36 | C14H17ON2F3S | O=C(Nc1ccc(S)cc1)C1CCCN(CC(F)(F)F)C1 |
|
AD43738 | 2.47 | 360.2 | C14H12ON6Br | O=C(NCCc1ccccc1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43739 | 0.9 | 164.21 | C9H12ON2 | NC(=O)NCCc1ccccc1 |
|
AD43740 | 1.19 | 345.85 | C16H20O4NClS | O=C(NCCO)C1(Cc2ccccc2Cl)CCS(=O)(=O)CC1 |