aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33101 | 1.75 | 194.25 | C11H15N2F | NC1CCN(c2cccc(F)c2)CC1 |
|
AD33102 | 2.27 | 210.71 | C12H15N2Cl | NC1CCN(c2ccccc2Cl)CC1 |
|
AD33103 | 0.46 | 218.26 | C11H14ON4 | C=CC(C)(O)CNc1[nH+]cnc2c1C=C[N]2 |
|
AD33104 | 1.16 | 213.1 | C9H11NBr | [NH3+]C1Cc2ccc(Br)cc2C1 |
|
AD33105 | 1.2 | 202.2 | C10H11NF3 | [NH3+]C1CCc2cc(F)c(F)c(F)c2C1 |
|
AD33106 | 1.88 | 204.21 | C10H13NF3 | CC([NH3+])Cc1ccc(C(F)(F)F)cc1 |
|
AD33107 | 1.39 | 232.27 | C11H14ON5 | C=CCOCCCNc1ncnc2c1N=C[N]2 |
|
AD33108 | 1.39 | 232.27 | C11H14ON5 | C=C(C)COCCNc1ncnc2c1N=C[N]2 |
|
AD33109 | 1.02 | 232.27 | C11H14ON5 | C=CCN(CCOC)c1ncnc2c1N=C[N]2 |
|
AD33110 | 1.72 | 234.31 | C10H12N5S | C=CCSCCNc1ncnc2c1N=C[N]2 |