aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42521 | 2.76 | 211.26 | C14H13ON | Cc1ccccc1-c1cccc(C(N)=O)c1 |
|
AD42522 | 2.9 | 328.74 | C16H11O2N5Cl | O=C(O)C1(c2ccc(Nc3nc(Cl)nc4c3N=C[N]4)cc2)CC1 |
|
AD42523 | 2.23 | 280.27 | C14H10O2N5 | O=C(O)C=Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42524 | 2.25 | 294.29 | C15H12O2N5 | O=C(O)C1(c2ccc(Nc3ncnc4c3N=C[N]4)cc2)CC1 |
|
AD42525 | 3.19 | 319.33 | C12H8O2NF3S2 | O=S(=O)(Nc1ccc(S)cc1)c1cc(F)cc(F)c1F |
|
AD42526 | 0.95 | 335.41 | C15H19O3N4S | CCC(C)(C)c1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD42527 | 2.87 | 344.42 | C16H18O2N5S | CCC(C)(C)c1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42528 | 2.67 | 331.35 | C15H12O2N4FS | O=S(=O)(Nc1ncnc2c1C(F)=C[N]2)c1ccc(C2CC2)cc1 |
|
AD42529 | 2.55 | 333.12 | C12H7O2N5Br | O=C(O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42530 | 2.06 | 314.35 | C14H12O2N5S | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(C2CC2)cc1 |