aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35061 | 0.52 | 207.3 | C12H19ON2 | COc1cccc(C2([NH3+])CCNCC2)c1 |
|
AD35062 | -0.6 | 220.3 | C12H18ON3 | NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 |
|
AD35063 | -0.49 | 234.32 | C13H20ON3 | CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 |
|
AD35064 | -0.92 | 245.3 | C11H21O4N2 | CC(C)(C)OC(=O)N1CC([NH2+]CCO)CC1=O |
|
AD35065 | -0.5 | 246.32 | C12H18N6 | CCC[NH+]1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD35066 | 0.03 | 215.32 | C11H23O2N2 | CC(C)(C)OC(=O)CN1CCC([NH3+])CC1 |
|
AD35067 | 0.67 | 223.27 | C12H16ON2F | [NH3+]C1CCN(C(=O)c2ccc(F)cc2)CC1 |
|
AD35068 | 0.54 | 235.31 | C13H19O2N2 | COc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 |
|
AD35069 | -0.51 | 229.37 | C11H21ON2S | CSCCC[NH+]1CC2(CCN(C=O)C2)C1 |
|
AD35070 | -1.72 | 246.28 | C11H20O5N | COC(=O)C1CC([NH2+]CCO)CC1C(=O)OC |