aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36961 | 0.04 | 267.68 | C11H10O2N5Cl | O=C(NCCO)c1nnn(-c2ccccc2Cl)n1 |
|
AD36962 | 0.65 | 247.08 | C5H3ON4SBr | NC(=O)c1cn2nc(Br)sc2n1 |
|
AD36963 | 1.31 | 257.31 | C11H15O4NS | O=S(=O)(CC1CCCO1)Nc1ccc(O)cc1 |
|
AD36964 | -0.04 | 264.35 | C10H20O4N2S | CCOC(=O)C(CCSC)NC(=O)NCCO |
|
AD36965 | 0.58 | 236.21 | C9H10O3N5 | COCCOC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD36966 | 1.24 | 268.28 | C9H10O3N5S | COCCOC(=O)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD36967 | 0.05 | 273.31 | C11H15O5NS | COC(=O)c1ccc(C)c(S(=O)(=O)NCCO)c1 |
|
AD36968 | 0.47 | 258.3 | C10H14O4N2S | Cc1oc(S(=O)(=O)N2CCCC2)cc1C(N)=O |
|
AD36969 | 1.24 | 254.08 | C6H5O2NFSBr | NS(=O)(=O)c1cc(F)cc(Br)c1 |
|
AD36970 | -0.18 | 273.31 | C11H15O5NS | COc1ccc(C(=O)NCCO)cc1S(C)(=O)=O |