Table 7.

In silico pharmacokinetics of ligands using Swiss ADME

Phytochemicals	ESOL (Log S)	GIA	BBB permeant	P-gp substrate	CYP3A4 inhibitor	CYP1A2 inhibitor	(iLOGP)	Bioavailabilty score
Andrographolide	− 3.18 (S)	High	No	Yes	No	No	2.45	0.55
Bassic acid	− 5.91 (MS)	High	No	Yes	No	No	3.32	0.56
Curdione	− 2.91 (S)	High	Yes	No	No	No	2.80	0.55
Nectandrin B	− 4.42 (MS)	High	Yes	Yes	Yes	No	2.75	0.55
Nimbolide	− 3.94 (S)	High	No	Yes	No	No	3.51	0.55
Oleanolic acid	− 7.32 (PS)	Low	No	No	No	No	3.92	0.85
Panaxadiol	− 6.96 (PS)	High	No	No	No	No	4.61	0.55
Panaxatriol	− 6.22 (PS)	High	No	Yes	No	No	4.24	0.55
Salvicine	− 3.58 (S)	High	Yes	No	No	No	2.93	0.55
Ursolic acid	− 7.23 (PS)	Low	No	No	No	No	4.01	0.85
Withaferin A	− 4.97 (MS)	High	No	Yes	No	No	3.39	0.55
Hecogenin	− 5.55 (MS)	High	Yes	Yes	No	No	4.02	0.55
Dovitinib (Standard drug)	− 3.66 (S)	High	No	Yes	No	Yes	2.26	0.55
Gefitinib (Standard drug)	− 5.05 (MS)	High	Yes	No	Yes	No	4.04	0.55