aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37891 | 2.03 | 261.31 | C12H11O2N3S | COc1nccc(C(=O)Nc2ccc(S)cc2)n1 |
|
AD37892 | 0.87 | 273.29 | C14H15O3N3 | COc1ccccc1-c1ncc(C(=O)NCCO)cn1 |
|
AD37893 | 0.6 | 261.28 | C13H15O3N3 | COc1cccc(-n2cncc2C(=O)NCCO)c1 |
|
AD37894 | 1.66 | 259.31 | C14H17O2N3 | COc1ccc(Cn2nc(C)c(C(N)=O)c2C)cc1 |
|
AD37895 | 0.79 | 263.27 | C13H14O2N3F | O=C(NCCO)c1nccn1Cc1ccccc1F |
|
AD37896 | 0.66 | 275.31 | C14H17O3N3 | COc1ccc(Cn2cnc(C(=O)NCCO)c2)cc1 |
|
AD37897 | 0.39 | 260.25 | C12H12O3N4 | O=C(NCCO)c1cnc(Oc2cccnc2)nc1 |
|
AD37898 | 0.36 | 266.3 | C13H18O4N2 | O=C(NCCO)c1cc(OC2CCOCC2)ccn1 |
|
AD37899 | 0.66 | 275.31 | C14H17O3N3 | COc1ccccc1Cn1cc(C(=O)NCCO)cn1 |
|
AD37900 | 0.36 | 260.3 | C13H16O2N4 | Cc1cc(C(=O)NCCO)nn1Cc1ccccn1 |