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. 2025 May 5;86(3):e70099. doi: 10.1002/ddr.70099

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.

a

SwissADME (Daina et al. 2017).