aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34601 | 1.04 | 227.07 | C7H4O2N2Cl2S | NS(=O)(=O)c1cnc(Cl)c(Cl)c1 |
|
AD34602 | -0.03 | 232.19 | C9H10O3N2F2 | O=C(NCCO)c1cccn(C(F)F)c1=O |
|
AD34603 | 1.22 | 226.24 | C12H10ON4 | NC(=O)c1ccn(-c2ccc3ccccn23)n1 |
|
AD34604 | -0.96 | 252.27 | C11H16O3N4 | O=C(NCCO)c1cnc(N2CCOCC2)nc1 |
|
AD34605 | 1.23 | 213.62 | C10H8O3NCl | COC(=O)c1ccc(C(N)=O)cc1Cl |
|
AD34606 | 1.42 | 219.29 | C12H17ON3 | CC1CCCN(c2cc(C(N)=O)ccn2)C1 |
|
AD34607 | 1.0 | 221.66 | C8H8O3NClS | COc1ccc(Cl)c(S(N)(=O)=O)c1 |
|
AD34608 | 0.98 | 217.23 | C11H11O2N3 | COc1ccc(-n2cc(C(N)=O)cn2)cc1 |
|
AD34609 | 0.78 | 248.27 | C11H14O2N5 | CCOC(=O)CCN(C)c1ncnc2c1N=C[N]2 |
|
AD34610 | -0.01 | 232.24 | C11H12O2N4 | O=C(NCCO)c1ccc(-n2cccn2)nc1 |