TABLE 7

Physicochemical properties, abundance and estimated fm of novel metabolites

Structures of drugs and their metabolites are provided in Supplemental Table 6. References provided in Supplemental Material.

Drug	cLogD	tPSA	Metabolite	cLogD	tPSA	M/P	f_m	Ref.
Aripiprazole	3.54	44.8	Dehydroapripiprazole	3.32	44.8	0.5	0.38	Caccia, 2011; FDA Clinical Pharmacology Review^{^a}
Carbamazepine	1.89	46.3	Epoxycarbamazepine	0.16	58.9	0.25		Ragueneau-Majlessi et al., 2004
Elzasonan	3.24	52.1	Indole derivative of elzasonan	3.39	53.8	3.2	0.06	Kamel et al., 2010
Indapamide	1.96	101	Dehydroindapamide	2.65	103	Major		Yeung et al., 2011
Methadone	2.29	20.3	EDDP metabolite	−3.51	3.01	0.16		Kharasch et al., 2009
Otenabant	4.71	102	Otenabant oxime	4.64	79.4	1.5		Miao et al., 2012
Proguanil	0.77	88.8	Cycloguanil	−0.69	80	0.67		Funck-Brentano et al., 1997