aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34811 | 0.66 | 236.3 | C11H12O2N2S | O=CN1CC2(C1)CN(C(=O)c1cccs1)C2 |
|
AD34812 | 0.83 | 247.31 | C10H11N6S | N=c1nc2c(c(N)n1C1=CCSCC1)N=C[N]2 |
|
AD34813 | -0.34 | 247.25 | C12H13O3N3 | Cn1cnc2cc(C(=O)NCCO)ccc2c1=O |
|
AD34814 | -0.27 | 247.25 | C12H13O3N3 | Cc1ccn2c(=O)c(C(=O)NCCO)cnc2c1 |
|
AD34815 | -0.21 | 253.28 | C10H11O3N3S | Cc1cn2c(=O)c(C(=O)NCCO)cnc2s1 |
|
AD34816 | -0.27 | 247.25 | C12H13O3N3 | Cc1nc2ccccn2c(=O)c1C(=O)NCCO |
|
AD34817 | -0.48 | 216.22 | C7H8O4N2S | COC(=O)c1cncc(S(N)(=O)=O)c1 |
|
AD34818 | 0.5 | 249.25 | C10H13O2N6 | CN(C)C(=O)OCCNc1ncnc2c1N=C[N]2 |
|
AD34819 | 0.52 | 263.28 | C11H15O2N6 | COC(=O)N(C)CCN(C)c1ncnc2c1N=C[N]2 |
|
AD34820 | 0.5 | 249.25 | C10H13O2N6 | COC(=O)N(C)CCNc1ncnc2c1N=C[N]2 |