Antioxidant and acetylcholinesterase inhibitory activities, in silico analyses, and anti-Alzheimer’s disease potential of leaf extracts of three Nigerian endemic medicinal plants (Spondias mombin, Carica papaya and Kalanchoe crenata)

Future Journal of Pharmaceutical Sciences

Table 6 Predicted pharmacokinetic properties of selected compounds

Compound	Formular	Molecular weight (g/mol)	Log P	HBA	HBD	TPSA	%ABS	nAtom	nRB	nViolation
Quercetin	C₁₅H₁₀O₇	302.24	1.23	7	5	131.36	65.06	22	1	0
Kaempferol	C₁₅H₁₀O₆	286.24	1.58	6	4	111.13	71.83	21	1	0
Ferulic acid	C₁₀H₁₀O₄	194.18	1.36	4	2	66.76	86.69	14	3	0
Lycopene	C₄₀H₅₆	536.89	9.98	0	0	0	109.00	40	16	2
Leucocyanidin	C₁₅H₁₄O₇	306.27	0.11	7	6	130.61	65.31	22	1	1
Gallic acid	C₇H₆O₅	170.12	0.21	5	4	97.98	76.23	12	1	0
Isorhamnetin	C₁₆H₁₂O₇	316.26	1.65	7	4	120.36	68.74	23	2	0
Rivastigmine	C₁₄H₂₂N₂O₂	250.34	2.34	3	0	32.78	98.03	18	6	0

Log P Octanol/water partition coefficient, HBA hydrogen bond acceptor, HBD hydrogen bond donor, TPSA topological surface area, %ABS % absorption, nAtom number of atoms, Nrb number of rotatable bonds, nViolation number of violation. There was no violation of the Lipinski’s rule