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. 2023 Jul 20;38(1):2231170. doi: 10.1080/14756366.2023.2231170

Table 2.

Calculated parameters for Lipinski’s rule and Veber’s standards for the hybrids 5a, 5f, 8b, 8c, 8e, and 8g.

Comp. Mwta nHBAb nHBDc LogPd nVse nRBf TPSAg % ABSh
Lipinskii ≤500 ≤10 ≤5 ≤5 ≤1
Veberj ≤10 ≤140
5a 413.36 10 0 3.92 0 6 146.09 58.59
5f 398.39 8 0 3.94 0 6 109.50 71.22
8b 386.88 4 0 5.38 1 3 50.27 91.65
8c 431.33 4 0 5.59 1 3 50.27 91.65
8e 366.46 4 0 5.09 1 3 50.27 91.65
8g 442.51 7 0 4.15 0 6 77.96 82.10
Epalrestat 319.40 4 1 2.76 0 4 89.70 78.05
a

Molecular weight.

b

Number of hydrogen bond acceptors.

c

Number of hydrogen bond donors.

d

Lipophilicity (O/W).

e

Number of Lipinski rule violations.

f

Number of rotatable bonds.

g

Topological polar surface area.

h

Percentage of oral absorption.

i

Reference values of Lipinski.

j

Reference values of Veber.