Table 3. ADME Predictions of the Test Compounds Computed by SwissADME and PreADMET^a.

	absorption			distribution		metabolism			excretion
	GI ABS	log Kp cm/s	P-gp substrate	BBB permeability (logBB)	log VD (L/kg)	CYP3A4 inhibitor	CYP2D6 inhibitor	CYP2C9 inhibitor	CYP2C19 inhibitor	CYP1A2 inhibitor	TC (log mL/min/kg)	OCT2 substrate
1	low	–2.36	yes	0.769	0.261	no	no	yes	no	no	1.588	no
2	low	–1.65	no	0.815	0.293	no	no	no	no	yes	1.989	no
3	high	–3.09	no	–0.552	–0.06	yes	no	no	no	yes	2.008	no
4	high	–5.39	yes	–0.2	–0.235	no	yes	no	no	no	1.763	no
5	high	–5.84	no	–0.724	–0.044	yes	yes	yes	no	yes	0.764	no
6	high	–5.28	no	0.675	0.182	no	no	no	no	no	0.459	no
7	low	–1.28	yes	–0.939	–1.293	yes	no	no	no	no	0.722	no
8	low	–2.42	yes	–0.995	–0.067	no	no	no	no	no	1.875	no
9	high	–6.49	no	–0.309	–0.014	no	no	no	no	yes	0.768	no
10	high	–6.69	no	–0.456	–0.229	no	no	no	no	yes	0.876	no
11	low	0.71	yes	–0.617	–0.854	no	no	no	no	no	0.748	no
12	high	–5.51	no	0.008	–0.101	no	no	no	yes	yes	0.837	no
CPFX	high	–9.09	yes	–0.425	–0.17	no	no	no	no	no	0.633	no

^aGI = gastro-intestinal, ABS = absorption, BBB = blood–brain barrier, P-gp = P-glycoprotein, and CYP = cytochrome-P.