aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42631 | 2.83 | 332.45 | C15H16ON4S2 | Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 |
|
AD42632 | 3.27 | 301.37 | C15H15O2N3S | COc1ccc(-c2csc3nc(C)nc(N)c23)cc1OC |
|
AD42633 | 3.03 | 295.79 | C14H14ON3ClS | COc1ccc(Cc2c(N)nc(SC)nc2Cl)cc1 |
|
AD42634 | 2.57 | 311.14 | C12H11O3N2Br | CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(N)c12 |
|
AD42635 | 3.29 | 329.43 | C17H19O2N3S | Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3cc(N)cnc32)cc1 |
|
AD42636 | 3.22 | 307.35 | C18H17O2N3 | Nc1cnc(OCc2ccccc2)nc1OCc1ccccc1 |
|
AD42637 | 3.65 | 330.19 | C15H12ON3Br | COc1ccc(-c2nc(N)c3cc(Br)ccc3n2)cc1 |
|
AD42638 | 2.64 | 288.53 | C10H7ON3ClBr | COc1cc(Br)cc2c(N)nc(Cl)nc12 |
|
AD42639 | 2.82 | 301.17 | C10H9O2N2SBr | CCOC(=O)c1sc2c(Br)nccc2c1N |
|
AD42640 | 1.16 | 330.34 | C16H17O2N5F | NC(=O)C1=C(Nc2cc(F)cc(C(=O)N3CCCCC3)c2)[N]C=N1 |