aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39371 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cn2ccc(Br)cc2n1 |
|
AD39372 | 1.22 | 287.33 | C12H11ON6S | Cc1scc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c1C |
|
AD39373 | 1.88 | 271.32 | C15H17O2N3 | COCCn1c(C(N)=O)cc2c1c1ccccc1n2C |
|
AD39374 | 0.8 | 297.38 | C13H19O3N3S | CC(C)C(=O)N1CCCc2sc(C(=O)NCCO)nc21 |
|
AD39375 | 1.17 | 287.33 | C12H11ON6S | CCc1cc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cs1 |
|
AD39376 | 1.71 | 281.32 | C15H15ON5 | NC(=O)c1nc(-c2cn(CC3CC3)cn2)n2ccccc12 |
|
AD39377 | 2.37 | 271.32 | C15H17O2N3 | Oc1ccc(Nc2cccnc2N2CCOCC2)cc1 |
|
AD39378 | 0.51 | 298.34 | C13H22O4N4 | CN(C(=O)OC(C)(C)C)c1cc(C(=O)NCCO)n(C)n1 |
|
AD39379 | 0.49 | 284.32 | C12H20O4N4 | Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCCO |
|
AD39380 | 1.09 | 284.32 | C15H16O2N4 | Cn1cc(-n2cc(C(=O)NCCO)c3ccccc32)cn1 |