aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42331 | 3.96 | 280.25 | C14H11ON2F3 | Cc1c(Nc2ncccc2C=O)cccc1C(F)(F)F |
|
AD42332 | 2.86 | 268.28 | C14H11N5F | Fc1nc2c(c(N=CCCc3ccccc3)n1)N=C[N]2 |
|
AD42333 | 3.22 | 297.38 | C13H12O2NFS2 | Cc1c(F)cccc1S(=O)(=O)Nc1ccc(S)cc1 |
|
AD42334 | 2.78 | 323.42 | C12H9O2N3S3 | O=S(=O)(Nc1ccc(S)cc1)c1ccc2nsnc2c1 |
|
AD42335 | 2.03 | 349.03 | C10H8O3NCl2SBr | O=S(=O)(NCCO)c1c(Cl)cc(Br)cc1Cl |
|
AD42336 | 2.05 | 332.81 | C14H17O4N2ClS | CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)NCCO)c2o1 |
|
AD42337 | 2.98 | 307.4 | C14H13O3NS2 | CC(=O)c1cccc(S(=O)(=O)Nc2ccc(S)cc2)c1 |
|
AD42338 | 3.49 | 317.34 | C16H12O3NFS | O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)c2ccccc12 |
|
AD42339 | 2.95 | 337.42 | C15H15O4NS2 | CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(S)cc2)cc1 |
|
AD42340 | 3.35 | 329.38 | C17H15O4NS | COc1ccc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc2c1 |