Identification of bioactive compounds by GC-MS and α-amylase and α-glucosidase inhibitory activity of Rauvolfia tetraphylla L. and Oroxylum indicum (L.) Kurz: an in vitro and in silico approach

Clinical Phytoscience

International Journal of Phytomedicine and Phytotherapy

Table 3 Drug-likeness properties of phytochemicals of R. tetraphylla and O. indicum based on Lipinski’s rule and SwissADME

Compounds	PubChem ID	Mol. weight (< 500 Da)	LogP (< 5)	H-bond donor (< 5)	H-bond acceptor (< 10)	BS	TPSA
Acarbose	41,774	645.6	−8.5	14	19	0.17	321 Å²
R1	91,723,645	459.6	2.3	1	6	0.55	120 Å²
R2	17,169	260.67	2.6	2	3	0.56	57.5 Å²
R3	6,422,266	199.17	−0.8	2	5	0.55	119 Å²
R4	602,121	225.28	3.1	0	1	0.55	14.2 Å²
O1	535,099	156.29	3.1	0	1	0.55	25.3 Å²
O2	609,707	303.15	3	2	2	0.55	48.9 Å²
O3	634,947	442.60	7.8	0	2	0.55	24.7 Å²
O4	635,787	521.78	3.2	2	3	0.55	69.6 Å²
O5	5,363,717	219.40	1.9	1	3	0.55	86.5 Å²
O6	22,213,249	330.50	2.8	0	3	0.55	51.2 Å²
O7	521,987	252.40	2.2	0	6	0.55	103 Å²