aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34661 | -0.11 | 234.05 | C6H8O2N3Br | O=C(NCCO)c1cc(Br)n[nH]1 |
|
AD34662 | 0.43 | 229.26 | C9H11O4NS | COC(=O)c1ccc(C)c(S(N)(=O)=O)c1 |
|
AD34663 | -0.1 | 251.24 | C12H13O5N | CC(=O)C(=O)Oc1ccccc1C(=O)NCCO |
|
AD34664 | -0.01 | 232.24 | C11H12O2N4 | O=C(NCCO)c1cnnn1-c1ccccc1 |
|
AD34665 | 1.41 | 226.23 | C13H10O2N2 | NC(=O)c1ncccc1C(=O)c1ccccc1 |
|
AD34666 | -0.62 | 233.23 | C10H11O2N5 | O=C(NCCO)c1ccc(-n2cncn2)nc1 |
|
AD34667 | 0.13 | 250.23 | C11H11O2N4F | O=C(NCCO)c1ncn(-c2cccc(F)c2)n1 |
|
AD34668 | -0.01 | 232.24 | C11H12O2N4 | O=C(NCCO)c1cccc(-n2cncn2)c1 |
|
AD34669 | 1.02 | 222.63 | C10H7ON4Cl | NC(=O)c1cn(-c2cccc(Cl)c2)nn1 |
|
AD34670 | 0.04 | 236.27 | C12H16O3N2 | CC(=O)NCc1ccc(C(=O)NCCO)cc1 |