Table 2.

Calculated physicochemical and pharmacokinetic properties of the synthesized compounds.

Comp	Mol. Wt	No. of HBD	No. of HBA	log P	PSA	No. of rotatable bonds	% Absorp-tion (human)	BBB perme-ability (logBB)	Metabolizedby	Total clearance log(ml/min/kg)
5	459.46	2	7	3.77	100.37	5	89.93	−1.30	CYP3A4	0.158
22	425.91	2	7	3.59	99.42	5	88.59	−1.02	CYP3A4	0.079
23	421.49	2	8	3.20	107.71	6	86.29	−0.97	CYP3A4	0.313
24	391.46	2	7	2.95	97.59	5	86.93	−0.84	CYP3A4	0.138
25	506.51	2	8	5.33	106.26	6	78.15	−1.54	CYP3A4	0.195
26	472.96	2	8	4.83	106.27	6	100.00	−1.26	CYP3A4	0.117
27	468.54	2	8	4.42	114.55	7	100.00	−1.31	CYP3A4	0.351
28	438.51	2	8	4.42	104.43	6	100.00	−1.08	CYP3A4	0.176
29	486.48	0	7	4.68	76.81	3	100.00	−1.57	CYP3A4	0.150
30	452.93	0	8	4.17	76.82	3	100.00	−0.89	CYP3A4	0.067
31	448.51	0	8	3.72	85.10	4	100.00	−1.32	CYP3A4	0.302
32	418.48	0	7	3.66	76.83	3	100.00	−1.10	CYP3A4	0.133
33	500.51	2	8	3.73	96.27	4	71.62	−1.72	CYP3A4	0.032
34	466.96	2	8	3.25	96.28	4	81.62	−1.44	CYP3A4	0.046
35	462.54	2	9	2.85	104.57	5	79.30	−1.09	CYP3A4	0.174
36	432.51	2	8	2.77	96.29	4	78.80	−0.87	CYP3A4	0.009
42	459.50	2	6	5.04	75.23	7	91.35	−0.95	CYP3A4	0.151
43	425.93	2	6	4.33	75.33	7	100.00	−0.68	CYP3A4	0.094
44	421.53	2	7	4.17	81.92	8	100.00	−0.74	CYP3A4	0.319
45	391.50	2	6	4.07	75.22	7	100.00	−0.52	CYP3A4	0.153
46	506.56	2	7	6.31	81.73	8	89.36	−1.25	CYP3A4	0.160
47	473.00	2	7	5.82	81.73	8	100.00	−0.98	CYP3A4	0.103
48	468.58	2	8	5.47	87.55	9	100.00	−1.04	CYP3A4	0.328
49	438.56	2	7	5.34	80.52	8	95.59	−0.81	CYP3A4	0.162
Rimonabant	463.79	1	5	6.11	53.32	2	100.00	0.23	CYP3A4	0.156