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Table 3 Drug-likeness Properties of B-1, B-2 and R

From: Design, pharmacokinetic profiling, and assessment of kinetic and thermodynamic stability of novel anti-Salmonella typhi imidazole analogues

Ligand

Rule

B-1

B-2

R

Lipinski’s

yes

yes

yes

 HBA

4

5

5

 HBD

2

3

2

 MW (gmol−1)

372.8

388.8

331.34

 cLogP(o/w)

2.45

2.04

1.10

Veber’s

Yes

yes

yes

 NRB

7

7

3

 TPSA (Å2)

95.9

116.13

74.54

  1. HBA hydrogen bond acceptor, HBD hydrogen bond donor, Mw molecular weight, cLogP consensus octanol water partition coefficient, NRB number of rotatable bond, TPSA topological polar surface area