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. 2023 Sep 19;27(20):3168–3188. doi: 10.1111/jcmm.17940

TABLE 1.

Data of Lipinski rule.

Ligand no. Molecular weight Number of rotatable bonds Hydrogen bond acceptor Hydrogen bond donor Topological polar surface area Å2 Consensus Log p o/w Lipinski rule Bioavailability score
Result Violation
Ligand 01 245.23 2 5 1 64.72 2.24 Yes 0 0.55
Ligand 02 321.33 4 5 1 64.72 3.49 Yes 0 0.55
Ligand 03 369.37 4 5 1 64.72 4.66 Yes 0 0.55
Ligand 04 275.21 3 7 2 102.02 1.78 Yes 0 0.56
Ligand 05 305.2 4 9 3 139.32 1.33 Yes 0 0.56
Ligand 06 259.21 3 6 1 81.79 1.92 Yes 0 0.55
Ligand 07 273.2 4 7 1 98.86 1.57 Yes 0 0.55
Ligand 08 249.19 2 6 1 64.72 2.41 Yes 0 0.55
Ligand 09 253.16 2 7 1 64.72 2.55 Yes 0 0.55