aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42371 | 0.85 | 148.17 | C7H8N4 | Cc1nc2ccc(N)nc2[nH]1 |
|
AD42372 | 2.86 | 313.76 | C14H12O4NClS | COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD42373 | 1.11 | 126.13 | C6H7N2F | Cc1nccc(N)c1F |
|
AD42374 | 0.54 | 134.14 | C6H6N4 | Nc1ccnc2[nH]cnc12 |
|
AD42375 | 3.01 | 298.39 | C18H22O2N2 | Oc1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1 |
|
AD42376 | 2.87 | 300.43 | C16H20N4S | CN1CCN(c2ccc(Nc3ccc(S)cc3)cn2)CC1 |
|
AD42377 | 3.05 | 314.37 | C16H14O3N2S | Cc1cnc2c(S(=O)(=O)Nc3ccc(O)cc3)cccc2c1 |
|
AD42378 | 3.22 | 327.45 | C18H21ON3S | O=C(Nc1ccc(S)cc1)C1CCN(Cc2ccccn2)CC1 |
|
AD42379 | 3.33 | 321.4 | C16H19O4NS | COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD42380 | 2.9 | 307.37 | C15H17O4NS | CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(O)cc1 |