Table 7.

Calculation of ADMET properties of MOL phytocomponents using online SwissADME software

S. no	Phytocomponents	Lipophilicity (consensus Log Po/w)	BBB permeant	P-gp substrate	CYP1A2 inhibitor	CYP2C19 inhibitor	CYP2C9 inhibitor	CYP2D6 inhibitor	CYP3A4 inhibitor	Log Kp (skin permeation)	GI absorption
1	N-(3-Aminopropyl)morpholine	0.15	No	No	No	No	No	No	No	− 7.67	High
2	2-Benzylpiperidine	2.60	Yes	No	No	No	No	Yes	No	− 5.48	High
3	Guanosine	− 2.02	No	No	No	No	No	No	No	− 9.37	Low
4	Hexatriacontane	13.67	No	Yes	No	No	No	No	No	4.18	Low
5	2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol	7.58	No	Yes	No	No	No	No	No	− 1.68	Low
6	Beta-Tocopherol	7.79	No	Yes	No	No	No	No	No	− 1.51	Low
7	Gamma-Tocopherol	7.95	No	Yes	No	No	No	No	No	− 1.51	Low
8	Campesterol	6.90	No	No	No	No	No	No	No	− 2.50	Low
9	dl-alpha-Tocopherol	8.27	No	Yes	No	No	No	No	No	− 1.33	Low
10	Stigmasta-5,22-dien-3-ol, (3.beta.,22e)-	6.97	No	Yes	No	No	Yes	No	No	− 2.74	Low
11	Beta-Sitosterol	7.19	No	No	No	No	No	No	No	− 2.20	Low
12	Fucosterol	7.07	No	No	No	No	No	No	No	− 2.53	Low
13	Lupeol	7.26	No	No	No	No	No	No	No	− 1.90	Low
14	Hexacosane	10.09	No	Yes	No	No	No	No	No	1.19	Low
15	Squalene	9.38	No	No	No	No	No	No	No	− 0.58	Low
16	E,E,Z-1,3,12-Nonadecatriene-5,14-diol	4.94	Yes	Yes	Yes	No	Yes	Yes	Yes	− 4.08	High