aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42001 | 0.31 | 306.27 | C14H14O6N2 | O=C(NCCO)NCc1cc(=O)oc2cc3c(cc12)OCO3 |
|
AD42002 | 1.12 | 324.2 | C10H14O4NSBr | CCOc1ccc(Br)cc1S(=O)(=O)NCCO |
|
AD42003 | 1.68 | 353.36 | C17H17O3N6 | CCOC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD42004 | 0.18 | 334.38 | C14H16O3N5S | NC(=O)C1=C(Nc2ccccc2S(=O)(=O)N2CCCC2)[N]C=N1 |
|
AD42005 | 1.5 | 336.4 | C14H18O3N5S | CCOC(=O)C(CCSC)NC(=O)Nc1ncnc2c1C=C[N]2 |
|
AD42006 | 1.8 | 354.39 | C14H17O3N5FS | CCOC(=O)C(CCSC)NC(=O)Nc1ncnc2c1C(F)=C[N]2 |
|
AD42007 | 1.19 | 337.39 | C13H17O3N6S | CCOC(=O)C(CCSC)NC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD42008 | 1.65 | 361.12 | C10H10O3N4I | COCCOC(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD42009 | 1.19 | 362.11 | C9H9O3N5I | COCCOC(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD42010 | 1.95 | 346.11 | C9H9O2N5I | CC(C)OC(=O)Nc1nc(I)nc2c1N=C[N]2 |