Table 3.

Pharmacokinetic properties for the identified metabolites using the SwissADME web server.

Properties	Parameters	1	2	3	4	5	6	7	8	9	10	11	12
Physicochemical Properties	MW (g/mol)	194.18	330.46	290.27	358.39	184.15	318.24	302.24	492.43	224.21	316.26	354.31	610.52
	HBA	4	5	6	6	5	8	7	12	5	7	9	16
	HBD	2	4	5	2	3	6	5	7	2	4	6	10
Lipophilicity Log Po/w	iLOGP	1.62	3.18	1.47	2.67	0.97	1.08	1.94	2.00	1.63	2.35	0.96	1.58
	XLOGP3	1.51	3.15	0.36	2.28	0.86	1.18	2.17	−0.39	1.46	1.87	−0.42	−0.33
	MLOGP	1.00	2.01	0.24	1.17	0.18	−1.08	−0.56	−2.43	0.73	−0.31	−1.05	−3.89
Absorption	Water solubility	Soluble	Soluble	Soluble	Moderately soluble	Soluble	Soluble	Soluble	Soluble	Soluble	Soluble	Soluble	Soluble
	GI	High	High	High	High	High	Low	High	Low	High	High	Low	Low
	Log Kp (skin permeation) cm/s	−6.41	−6.08	−7.82	−6.87	−6.81	−7.40	−6.60	−9.58	−6.63	−6.90	−8.76	−10.26
Distribution	BBB permeant	Yes	No	No	Yes	No	No	No	No	No	No	No	No
Metabolism	CYP1A2 inhibitor	No	No	No	No	No	Yes	Yes	No	No	Yes	No	No
	CYP2C19 inhibitor	No	No	No	No	No	No	No	No	No	No	No	No
	CYP2C9 inhibitor	No	No	No	No	No	No	No	No	No	No	No	No
	CYP2D6 inhibitor	No	Yes	No	Yes	No	No	Yes	No	No	Yes	No	No
	CYP3A4 inhibitor	No	No	No	Yes	No	Yes	Yes	No	No	Yes	No	No
Druglikeness	Lipinski	Yes; 0 violation	Yes; 0 violation	Yes; 0 violation	Yes; 0 violation	Yes; 0 violation	Yes; 1 violation: NHorOH > 5	Yes; 0 violation	No; 2 violations: NorO > 10, NHorOH > 5	Yes; 0 violation	Yes; 0 violation	Yes; 1 violation: NHorOH > 5	No; 3 violations: MW > 500, NorO > 10, NHorOH > 5