aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39801 | 1.23 | 310.33 | C12H13O2N5FS | CCOC(=O)CCNC(=S)Nc1ncnc2c1C(F)=C[N]2 |
|
AD39802 | 0.41 | 292.08 | C8H9O2N2I | O=C(NCCO)c1ncccc1I |
|
AD39803 | 1.72 | 263.35 | C11H15N6S | CCC(C)CNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD39804 | 0.84 | 293.69 | C13H10O3N4Cl | COC(=O)c1cc(Cl)cc(NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD39805 | 0.61 | 280.32 | C14H20O4N2 | O=C(NCCO)c1ccnc(OCC2CCOCC2)c1 |
|
AD39806 | 2.42 | 271.38 | C13H21O3NS | CCCOc1ccc(C(C)(C)C)cc1S(N)(=O)=O |
|
AD39807 | 0.61 | 280.32 | C14H20O4N2 | O=C(NCCO)c1ccc(OCC2CCOCC2)nc1 |
|
AD39808 | 1.88 | 313.37 | C14H13ON6S | COc1ccc(CNC(=S)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD39809 | 1.12 | 281.33 | C13H15O4NS | COc1ccc2cc(S(=O)(=O)NCCO)ccc2c1 |
|
AD39810 | 2.15 | 264.32 | C14H20O3N2 | CN(Cc1ccc(C(N)=O)cc1)C(=O)OC(C)(C)C |