aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34831 | 0.26 | 238.62 | C9H9O2N2F2Cl | O=CN1CCC12CN(C(=O)C(F)(F)Cl)C2 |
|
AD34832 | 0.12 | 238.62 | C9H9O2N2F2Cl | O=CN1CC2(C1)CN(C(=O)C(F)(F)Cl)C2 |
|
AD34833 | 0.05 | 245.27 | C11H13ON6 | CC1CN(C)C(=O)CN1c1ncnc2c1N=C[N]2 |
|
AD34834 | 0.05 | 245.27 | C11H13ON6 | CN1CCC(N(C)c2ncnc3c2N=C[N]3)C1=O |
|
AD34835 | 0.2 | 257.28 | C12H13ON6 | O=C1CN(c2ncnc3c2N=C[N]3)CCN1C1CC1 |
|
AD34836 | 0.74 | 244.28 | C12H14ON5 | OC1(C2CC2)CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD34837 | 0.73 | 264.33 | C11H14ON5S | CC1C(C)S(=O)CCN1c1ncnc2c1N=C[N]2 |
|
AD34838 | 0.05 | 245.27 | C11H13ON6 | CC1CN(c2ncnc3c2N=C[N]3)CC(=O)N1C |
|
AD34839 | 0.43 | 242.34 | C11H18O2N2S | CSCC(C)C(=O)N1CC2(CCN2C=O)C1 |
|
AD34840 | 0.29 | 242.34 | C11H18O2N2S | CSCC(C)C(=O)N1CC2(CN(C=O)C2)C1 |