aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35731 | 2.92 | 262.66 | C12H6N5FCl | Fc1cccc(Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD35732 | 1.95 | 255.28 | C13H13ON5 | CCc1ccc(Nc2ncnc3[nH]c(=O)[nH]c23)cc1 |
|
AD35733 | 3.12 | 232.31 | C12H12ON2S | COc1ccc(Nc2ccc(S)cc2)cn1 |
|
AD35734 | 2.61 | 249.26 | C13H9N6 | C1=Nc2c(ncnc2Nc2ccc3[nH]ccc3c2)[N]1 |
|
AD35735 | 3.41 | 221.21 | C12H9ONF2 | Oc1ccc(Nc2cccc(F)c2F)cc1 |
|
AD35736 | 2.54 | 216.24 | C12H12O2N2 | COc1ccc(Nc2ccc(O)cc2)cn1 |
|
AD35737 | 2.83 | 256.26 | C13H11N5F | CCc1ccccc1Nc1nc(F)nc2c1N=C[N]2 |
|
AD35738 | 3.28 | 233.24 | C13H12O2NF | COc1ccc(F)cc1Nc1ccc(O)cc1 |
|
AD35739 | 1.95 | 255.28 | C13H13ON5 | CCc1ccccc1Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD35740 | 2.58 | 242.24 | C12H9N5F | Cc1cc(F)ccc1Nc1ncnc2c1N=C[N]2 |