aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43331 | 3.13 | 321.4 | C16H19O4NS | COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1C |
|
AD43332 | 2.57 | 361.18 | C14H11O2N5Br | COC(=O)Cc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD43333 | 1.94 | 341.43 | C15H23O4N3S | CC(C)(C)OC(=O)N1CCCC1c1nc(C(=O)NCCO)cs1 |
|
AD43334 | 2.24 | 296.31 | C15H14O2N5 | CCOC(=O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43335 | 2.7 | 327.16 | C11H13O2N5Br | CC(C)CCOC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43336 | 2.96 | 314.37 | C16H14O3N2S | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 |
|
AD43337 | 1.98 | 349.08 | C9H7O2N4FI | O=C(Nc1ncnc2c1C(I)=C[N]2)OCCF |
|
AD43338 | 1.33 | 323.97 | C8H8O2N2Br2 | O=C(NCCO)c1cnc(Br)cc1Br |
|
AD43339 | 2.86 | 351.12 | C12H6O2N5FBr | O=C(Nc1ncnc2c1N=C(Br)[N]2)Oc1ccc(F)cc1 |
|
AD43340 | 3.32 | 300.17 | C13H7ON3Cl2S | O=C(Nc1ccc(S)cc1)c1ncnc(Cl)c1Cl |