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Table 5 The druglikeness properties of the best 4 ligands and the positive controls

From: Identification of the most potent acetylcholinesterase inhibitors from plants for possible treatment of Alzheimer’s disease: a computational approach

Drug Likeness Properties Rules Bellidifolin Naringenin Apigenin Coptisine Donepezil (positive control 1) Galantamine (positive control 2)
Lipinski’s rule of five Yes Yes Yes Yes Yes Yes
Molecular weight < 500 274.23 g/mol 272.25 g/mol 270.24 g/mol 320.32 g/mol 379.49 g/mol 287.35 g/mol
Concensus log Po/w ≤ 5 1.77 1.84 2.11 2.40 4.00 1.91
Num. H-bond acceptors < 10 6 5 5 4 4 4
Num. H-bond donors < 5 3 3 3 0 0 1
Molar refractivity 40–130 72.55 71.57 73.99 87.95 115.31 84.05
No of rotatable bonds ≤ 10 1 1 1 0 6 1
TPSA (Å2) 100.13 Å2 71.57 90.90 Å2 40.80 Å2 38.77 41.93