aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38521 | 1.29 | 205.26 | C12H15O2N | COc1cccc2c1CC(C(N)=O)CC2 |
|
AD38522 | 0.69 | 263.3 | C13H17O3N3 | COC(=O)C1CCN(C(=O)c2cccnc2N)CC1 |
|
AD38523 | 1.23 | 264.33 | C13H20O2N4 | CCOC(=O)CC1CCN(c2ccc(N)nn2)CC1 |
|
AD38524 | 0.79 | 266.33 | C11H14O2N4S | CN(C)S(=O)(=O)n1cnc(-c2ccccc2N)c1 |
|
AD38525 | 1.12 | 286.74 | C11H11O2N4ClS | CN(C)S(=O)(=O)c1ccc2nc(Cl)c(N)nc2c1 |
|
AD38526 | -0.4 | 303.3 | C13H15O3N6 | CCOC(=O)C(=O)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD38527 | 1.52 | 259.05 | C7H6N3I | Nc1cc(I)c2nccn2c1 |
|
AD38528 | 1.52 | 256.33 | C11H16O3N2S | CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C |
|
AD38529 | -0.38 | 249.31 | C13H19O2N3 | CN(C)C(=O)Cn1c2c(ccc1=O)CCNCC2 |
|
AD38530 | 0.0 | 254.33 | C13H22O3N2 | O=C(C1COC2(CCNCC2)C1)N1CCOCC1 |