aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34791 | -0.62 | 233.23 | C10H11O2N5 | O=C(NCCO)c1cn(-c2ncccn2)cn1 |
|
AD34792 | 0.05 | 246.27 | C12H14O2N4 | O=C(NCCO)c1cnn(Cc2ccccn2)c1 |
|
AD34793 | 1.04 | 231.25 | C12H13O2N3 | COc1ccccc1Cn1cc(C(N)=O)cn1 |
|
AD34794 | 0.99 | 236.27 | C12H16O3N2 | NC(=O)c1cncc(OCC2CCOCC2)c1 |
|
AD34795 | 0.51 | 220.15 | C8H7O2N2F3 | NC(=O)c1ccc(=O)n(CC(F)(F)F)c1 |
|
AD34796 | 1.17 | 219.22 | C11H10ON3F | NC(=O)c1nccn1Cc1ccccc1F |
|
AD34797 | 0.13 | 237.26 | C11H15O3N3 | O=C(NCCO)c1cc(OC2CCC2)ncn1 |
|
AD34798 | 0.03 | 253.3 | C12H19O3N3 | O=C(NCCO)c1cnn(CC2CCOCC2)c1 |
|
AD34799 | 0.73 | 216.24 | C11H12ON4 | Cc1cc(C(N)=O)nn1Cc1ccccn1 |
|
AD34800 | 0.74 | 222.24 | C11H14O3N2 | NC(=O)c1ccncc1OC1CCOCC1 |