aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37791 | 1.59 | 234.24 | C10H12O2N5 | CC(C)COC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD37792 | 1.29 | 271.05 | C7H5O2N5Br | COC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD37793 | 0.73 | 279.66 | C12H8O3N4Cl | NC(=O)C1=C(NC(=O)Oc2ccc(Cl)cc2)[N]C=N1 |
|
AD37794 | 2.33 | 245.31 | C12H11ON3S | Cc1cnc(C(=O)Nc2ccc(S)cc2)nc1 |
|
AD37795 | 2.33 | 245.31 | C12H11ON3S | Cc1cc(C(=O)Nc2ccc(S)cc2)ncn1 |
|
AD37796 | 0.24 | 256.28 | C10H12O4N2S | O=S(=O)(Cc1noc2ccccc12)NCCO |
|
AD37797 | 2.06 | 239.32 | C10H9O2NS2 | NS(=O)(=O)c1ccc(-c2cccs2)cc1 |
|
AD37798 | 0.64 | 266.69 | C12H11O2N4Cl | O=C(NCCO)c1cn(-c2cccc(Cl)c2)nn1 |
|
AD37799 | 2.14 | 241.7 | C11H8O2NClS | NS(=O)(=O)c1ccc2c(Cl)cccc2c1 |
|
AD37800 | 1.26 | 271.24 | C12H9O3N5 | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)Oc1ccccc1 |