aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40181 | -0.15 | 292.4 | C16H26O2N3 | Cc1ccc(C(C(=O)NCCO)N2CCC([NH3+])CC2)cc1 |
|
AD40182 | 0.09 | 303.3 | C14H18O2N2F3 | O=C(NCCO)C1C[NH2+]CC1c1cccc(C(F)(F)F)c1 |
|
AD40183 | 0.78 | 267.35 | C17H19ON2 | NC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 |
|
AD40184 | 0.54 | 295.14 | C10H11N6Br | BrC1=Nc2c(ncnc2N=C2CC[NH2+]CC2)[N]1 |
|
AD40185 | 0.72 | 295.14 | C10H11N6Br | BrC1=Nc2c(ncnc2NC2=C[NH2+]CCC2)[N]1 |
|
AD40186 | 0.54 | 295.14 | C10H11N6Br | BrC1=Nc2c(ncnc2N=C2CCC[NH2+]C2)[N]1 |
|
AD40187 | 0.93 | 309.17 | C11H13N6Br | BrC1=Nc2c(ncnc2N=C2CCC[NH2+]CC2)[N]1 |
|
AD40188 | 0.71 | 252.28 | C13H12N6 | C1=Nc2c(ncnc2Nc2ccc3c(c2)C[NH2+]C3)[N]1 |
|
AD40189 | 0.75 | 266.31 | C14H14N6 | C1=Nc2c(ncnc2Nc2ccc3c(c2)CC[NH2+]C3)[N]1 |
|
AD40190 | 0.75 | 266.31 | C14H14N6 | C1=Nc2c(ncnc2Nc2cccc3c2CC[NH2+]C3)[N]1 |