aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35881 | 1.19 | 253.64 | C11H7ON4FCl | NC(=O)C1=C(Nc2cc(Cl)ccc2F)[N]C=N1 |
|
AD35882 | 2.92 | 262.66 | C12H6N5FCl | Fc1ccc(Cl)cc1Nc1ncnc2c1N=C[N]2 |
|
AD35883 | 2.6 | 229.28 | C13H15ON3 | CN(C)c1ccc(Nc2ccc(O)cc2)cn1 |
|
AD35884 | 1.9 | 253.29 | C13H13N6 | CN(C)c1ccc(Nc2ncnc3c2C=C[N]3)cn1 |
|
AD35885 | 2.85 | 230.27 | C13H14O2N2 | COc1ncc(C)cc1Nc1ccc(O)cc1 |
|
AD35886 | 2.58 | 242.24 | C12H9N5F | Cc1ccc(Nc2ncnc3c2N=C[N]3)c(F)c1 |
|
AD35887 | 3.08 | 237.26 | C14H11ON3 | Oc1ccc(Nc2cnc3cccnc3c2)cc1 |
|
AD35888 | 2.15 | 254.27 | C13H12ON5 | COc1ncc(C)cc1Nc1ncnc2c1C=C[N]2 |
|
AD35889 | 2.59 | 257.25 | C13H10ON4F | COc1cc(Nc2ncnc3c2C=C[N]3)ccc1F |
|
AD35890 | 2.38 | 261.27 | C14H9N6 | C1=Cc2c(ncnc2Nc2cnc3cccnc3c2)[N]1 |