aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40161 | 0.39 | 314.42 | C15H18N6S | C1=Nc2c(ncnc2N2CC[NH+](CCc3cccs3)CC2)[N]1 |
|
AD40162 | -0.25 | 293.39 | C16H25O3N2 | O=C(CN1CCC([NH2+]CCO)CC1)OCc1ccccc1 |
|
AD40163 | 1.3 | 284.18 | C12H16ON2Br | [NH3+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 |
|
AD40164 | -0.88 | 314.39 | C16H22ON6 | CC[NH+]1CCN(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1 |
|
AD40165 | 1.79 | 272.33 | C15H18O2N3 | Oc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 |
|
AD40166 | 1.01 | 273.36 | C15H21ON4 | Oc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 |
|
AD40167 | 0.15 | 316.41 | C16H24ON6 | OC1CCCCC1[NH+]1CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD40168 | -0.4 | 284.41 | C13H22O2N3S | [NH3+]C1CCCN(C(C(=O)NCCO)c2ccsc2)C1 |
|
AD40169 | 0.36 | 291.29 | C13H18O2N2F3 | [NH3+]C(CC(=O)NCCO)Cc1cccc(C(F)(F)F)c1 |
|
AD40170 | -0.31 | 293.39 | C16H25O3N2 | COc1ccc(CC2(C(=O)NCCO)CC[NH2+]CC2)cc1 |