aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34961 | 0.03 | 240.22 | C9H15O2N2F3 | O=C(NCCO)C1CCC(C(F)(F)F)NC1 |
|
AD34962 | 0.78 | 218.22 | C10H10O2N4 | CCOC(=O)c1nc(N)c2ccncc2n1 |
|
AD34963 | 0.45 | 236.28 | C11H16O2N4 | COC(=O)C1CCN(c2cc(N)ncn2)CC1 |
|
AD34964 | 1.22 | 233.68 | C8H8O2N3ClS | COC(=O)c1c(N)nc(SC)nc1Cl |
|
AD34965 | 1.28 | 223.26 | C9H9O2N3S | CCOC(=O)c1cc2c(=N)nc[nH]c2s1 |
|
AD34966 | 0.95 | 215.64 | C9H10O2N3Cl | CON(C)C(=O)c1ccc(Cl)nc1N |
|
AD34967 | 0.73 | 220.23 | C10H12O2N4 | CCOC(=O)c1cn(C)c2c(N)ncnc12 |
|
AD34968 | 1.2 | 223.26 | C9H9O2N3S | COC(=O)c1sc2[nH]cnc(=N)c2c1C |
|
AD34969 | 0.66 | 221.0 | C4H4N3I | Nc1ccc(I)nn1 |
|
AD34970 | 0.55 | 214.66 | C9H11ON4Cl | Nc1nc(Cl)cc(N2CCOCC2)n1 |