aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34711 | -0.79 | 244.27 | C9H12O4N2S | CS(=O)(=O)c1ccc(C(=O)NCCO)nc1 |
|
AD34712 | 1.0 | 228.25 | C13H12O2N2 | NC(=O)c1ccn(Cc2ccccc2)c(=O)c1 |
|
AD34713 | 0.43 | 229.26 | C9H11O4NS | COC(=O)c1cccc(C)c1S(N)(=O)=O |
|
AD34714 | 0.96 | 215.27 | C9H13O3NS | COc1cc(C)c(S(N)(=O)=O)c(C)c1 |
|
AD34715 | -0.04 | 239.27 | C11H17O3N3 | O=C(NCCO)c1cnn(C2CCOCC2)c1 |
|
AD34716 | -0.76 | 239.29 | C8H17O5NS | COC(=O)CCCCS(=O)(=O)NCCO |
|
AD34717 | 0.95 | 231.05 | C7H7O2N2Br | COc1cnc(Br)cc1C(N)=O |
|
AD34718 | -0.15 | 265.28 | C9H9O2N6S | COC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD34719 | 0.16 | 264.29 | C10H10O2N5S | COC(=O)CNC(=S)Nc1ncnc2c1C=C[N]2 |
|
AD34720 | 0.05 | 246.27 | C12H14O2N4 | O=C(NCCO)c1ncn(Cc2ccccc2)n1 |