Table 5.

Physicochemical descriptors and ADME properties of guide design new structure of 6-aminoquinoxaline derivatives by SwissADME.

Code	MW a	Log P b	H-Bond Donors	H-Bond Acceptors	tPSA c (Å2)	Rotatable Bonds	GI Absorption	BBB Permeant	Rule of Five d
7	160.18	0.32	2	2	77.82	0	High	No	Yes
8	163.15	1.19	1	3	51.80	0	High	Yes	Yes
9	224.06	1.52	1	2	51.80	0	High	Yes	Yes
10	271.06	1.57	1	2	51.80	0	High	Yes	Yes
11	179.61	1.42	1	2	51.80	0	High	Yes	Yes
12	189.17	0.17	2	4	89.10	1	High	No	Yes
13	203.20	0.94	1	4	78.10	2	High	No	Yes
14	217.22	1.29	1	4	78.10	3	High	No	Yes
15	207.62	1.29	1	3	68.87	1	High	Yes	Yes
16	159.19	1.20	1	2	51.80	0	High	Yes	Yes
17	173.21	1.52	1	2	51.80	1	High	Yes	Yes
18	187.20	1.0	1	3	68.87	1	High	Yes	Yes
19	170.17	0.76	1	3	75.59	0	High	No	Yes
20	161.16	0.30	2	3	72.03	0	High	No	Yes
21	202.21	0.43	2	3	80.90	2	High	No	Yes
22	160.18	0.48	2	2	77.82	0	High	No	Yes
23	163.15	1.16	1	3	51.80	0	High	Yes	Yes
24	224.06	1.49	1	2	51.80	0	High	Yes	Yes
25	271.06	1.54	1	2	51.80	0	High	Yes	Yes
26	179.61	1.13	1	2	51.80	0	High	Yes	Yes
27	189.17	0.18	2	4	89.10	1	High	No	Yes
28	203.20	0.79	1	4	78.10	2	High	No	Yes
29	217.22	1.12	1	4	78.10	3	High	No	Yes
30	207.62	1.11	1	3	68.87	1	High	Yes	Yes
31	159.19	1.30	1	2	51.80	0	High	Yes	Yes
32	173.21	1.19	1	2	51.80	1	High	Yes	Yes
33	187.20	0.62	1	3	68.87	1	High	Yes	Yes
34	170.17	0.62	1	3	75.59	0	High	No	Yes
35	161.16	0.50	2	3	72.03	0	High	No	Yes
36	202.21	0.64	2	3	80.90	2	High	No	Yes

^a M_w: molecular weight, ^b log P: Predicted octanol/water partition coefcient log P, ^c tPSA: topological polar surface area, ^d Rule of five: Number of violations of Lipinski’s rule of five (The roles are mol MW < 500, log P < 5, H-Bond donors < 5 and H-Bond acceptors < 10).