aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43321 | 3.03 | 334.44 | C17H22O3N2S | CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)Nc1ccc(S)cc1 |
|
AD43322 | 2.6 | 341.15 | C10H4ON5FSBr | O=C(Nc1nc(F)nc2c1N=C[N]2)c1cc(Br)cs1 |
|
AD43323 | 1.37 | 338.17 | C10H6ON6SBr | N=c1nc2c(c(N)n1C(=O)c1cc(Br)cs1)N=C[N]2 |
|
AD43324 | 1.72 | 340.16 | C10H6O2N5SBr | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1cc(Br)cs1 |
|
AD43325 | 1.29 | 342.44 | C17H30O5N2 | CC(C)(C)OC(=O)N1CCCC2(CC(CC(=O)NCCO)CO2)C1 |
|
AD43326 | 3.31 | 334.44 | C17H22O3N2S | CC(C)(C)OC(=O)N1CC2CC1(C(=O)Nc1ccc(S)cc1)C2 |
|
AD43327 | 2.7 | 327.16 | C11H13O2N5Br | CCC(C)COC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43328 | 2.86 | 331.79 | C15H10ON5ClS | O=C(Nc1ccc(S)cc1)c1cc(Cl)ccc1-n1cnnn1 |
|
AD43329 | 1.7 | 342.38 | C17H20O3N5 | CC(C)(C)OC(=O)N1CCc2c(NC3=C(C(N)=O)N=C[N]3)cccc21 |
|
AD43330 | 2.89 | 330.76 | C16H13O2N5Cl | CCOC(=O)Cc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1 |