aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38011 | 1.55 | 241.35 | C13H25O2N2 | CC(C)(C)OC(=O)N1CCC([NH3+])CC12CCC2 |
|
AD38012 | 1.66 | 256.17 | C11H16N2Br | [NH3+]C1CCN(c2ccc(Br)cc2)CC1 |
|
AD38013 | 1.55 | 241.35 | C13H25O2N2 | CC(C)(C)OC(=O)N1C2CCCC1CC([NH3+])C2 |
|
AD38014 | 1.56 | 259.37 | C16H23ON2 | [NH3+]C1CCC2CN(C(=O)c3ccccc3)CCC2C1 |
|
AD38015 | -0.65 | 259.37 | C13H27O3N2 | CC(C)(C)OC(=O)CN1CCC([NH2+]CCO)CC1 |
|
AD38016 | -0.01 | 267.32 | C14H20O2N2F | O=C(c1ccc(F)cc1)N1CCC([NH2+]CCO)CC1 |
|
AD38017 | 1.19 | 239.73 | C13H16ON2Cl | [NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 |
|
AD38018 | -0.14 | 279.36 | C15H23O3N2 | COc1ccc(C(=O)N2CCC([NH2+]CCO)CC2)cc1 |
|
AD38019 | 1.33 | 257.72 | C13H15ON2FCl | [NH3+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 |
|
AD38020 | 0.53 | 281.32 | C14H15N7 | C1=Nc2c(ncnc2N2CCN(c3cc[nH+]cc3)CC2)[N]1 |