aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37001 | 0.13 | 264.2 | C10H11O3N2F3 | O=C(NCCO)c1cccc(=O)n1CC(F)(F)F |
|
AD37002 | 0.01 | 266.71 | C9H11O4N2ClS | COc1nc(Cl)ccc1S(=O)(=O)NCCO |
|
AD37003 | -0.68 | 267.28 | C12H17O4N3 | O=C(NCCO)c1cnc(=O)n(C2CCOCC2)c1 |
|
AD37004 | -0.88 | 265.27 | C11H15O3N5 | O=C(NCCO)c1cc(N2CCCNC2=O)ncn1 |
|
AD37005 | 0.13 | 264.2 | C10H11O3N2F3 | O=C(NCCO)c1ccc(=O)n(CC(F)(F)F)c1 |
|
AD37006 | -0.24 | 267.28 | C12H17O4N3 | O=C(NCCO)c1cnc(OC2CCOCC2)nc1 |
|
AD37007 | 0.79 | 248.02 | C6H5ON2I | NC(=O)c1cccnc1I |
|
AD37008 | 0.24 | 279.31 | C10H11O2N6S | COC(=O)CCNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD37009 | 0.55 | 278.32 | C11H12O2N5S | COC(=O)CCNC(=S)Nc1ncnc2c1C=C[N]2 |
|
AD37010 | -0.12 | 273.31 | C11H15O5NS | COC(=O)c1ccc(CS(=O)(=O)NCCO)cc1 |