Virtual Screening and Biological Evaluation of Piperazine Derivatives as Human Acetylcholinesterase Inhibitors

Table 3

Lipinski’s rule of five and *topological polar surface area (TPSA), permeability factor values of derivatives.

Ligand	Num_H acceptors	Num_H donors	MiLog 𝑃	Number of rotatable bonds	Molecular Wt In daltons	TPSA* in Å^2
K	5	1	0.104	1	248.28	50.804
S1	7	0	2.056	3	402.46	76.157
S4	7	0	1.608	3	388.44	76.157
S7	7	0	2.892	3	457.33	76.157
S3	7	0	2.286	3	422.88	76.157