Table 1.

The physicochemical properties of the selected hits.

S/N	Comp Code	MW	a_don	a_acc	b_1rotN	logP(o/w)	TPSA Ų	% ABS
1	HPS/001	632.78	5	4	15	4.97	120.00	67.60
2	HPS/002	642.80	6	4	15	4.69	137.07	61.71
3	HPS/003	632.78	5	4	16	4.43	120.00	67.60
4	HPS/004	642.80	6	4	15	4.69	137.07	61.71
5	Lopinavir	628.814	5	4	15	5.19	120.00	67.60
6	HPS/005	720.98	3	5	19	4.58	129.99	64.15
7	HPS/006	698.93	3	6	18	3.09	139.22	60.97
8	HPS/007	700.95	3	6	18	3.06	139.22	60.97
9	HPS/008	676.91	3	5	18	4.67	125.55	65.69
10	Ritonavir	720.96	4	6	18	5.00	145.78	58.71
11	HPS/009	519.66	5	3	14	2.83	131.19	63.74
12	HPS/010	505.64	5	3	13	2.39	131.19	63.74
13	HPS/011	505.64	5	3	13	2.39	131.19	63.74
14	HPS/012	531.67	5	3	13	2.78	131.19	63.74
15	Fosamprenavir	583.60	5	2	13	1.40	171.40	49.87
16	HPS/013	489.64	4	2	13	3.40	110.96	70.72
17	HPS/014	489.64	4	2	13	3.40	110.96	70.72
18	HPS/015	462.59	3	2	13	3.07	124.79	65.95
19	HPS/016	490.62	5	2	13	3.06	105.17	72.72
20	Amprenavir	505.64	5	3	11	2.39	131.19	63.74
21	HPS/017	465.64	4	2	12	1.71	120.74	67.34
22	HPS/018	574.73	6	4	14	3.56	131.48	63.64
23	HPS/019	532.69	3	2	14	4.48	133.23	63.03
24	HPS/020	575.71	6	4	17	3.49	132.89	63.15
25	Atazanavir	704.87	7	5	14	4.74	171.22	49.93
26	HPS/021	573.71	6	3	13	2.70	126.43	65.38
27	HPS/022	595.72	6	3	13	3.37	140.42	60.56
28	HPS/023	574.72	6	2	14	2.84	117.41	68.49
29	HPS/024	546.66	5	2	12	2.49	145.46	58.81
30	Darunavir	547.70	3	9	12	2.9	149	51.41
31	HPS/025	645.89	7	3	14	5.01	125.04	65.86
32	HPS/026	661.89	8	4	14	4.86	145.27	59.92
33	HPS/027	661.89	8	4	14	4.86	145.27	59.92
34	HPS/028	569.81	6	5	12	5.35	105.06	72.75
35	Nelfinavir	547.673	6	3	11	2.436	140.42	60.56

MW = molecular weight; a_don = number of hydrogen bond donors; a_acc = number of hydrogen bond acceptors; b_1rotN = number of rotatable hydrogen bonds; logP(o/w) = octanol-water partition coefficient; TPSA = topological polar surface area.