TABLE 5.
Physicochemical properties and partition coefficients of studied compounds.
| Physicochemical properties a | Lipophilicity a | ||||
|---|---|---|---|---|---|
| MW | n‐ROTB | n‐HBA | n‐HBD | CLogPo/w | |
| Rule | 500 | 10 | 10 | 5 | 5 |
| OB‐CAPE (5) | 308.33 | 5 | 5 | 2 | 3.09 |
| CAPE (1) | 284.31 | 6 | 4 | 2 | 3.08 |
| Zileuton (3) | 236.29 | 3 | 2 | 2 | 1.81 |
Abbreviations: CLog Po/w, logarithm of compound partition coefficient between n‐octanol and water; MW, molecular weight (g/mol); n‐HBA, number of hydrogen bonds acceptors; n‐HBD, number of hydrogen bond donors; n‐ROTB, number of rotatable bonds.
SwissADME (Daina et al. 2017).