Table 3. The Docking and redocking results of tacrine’s similar structures with CID and chemical name.

Sl no	CID	IUPAC Name	Affinity Pyrx Kcal/mol	Redocking Autodock Kcal/mol	Hdock docking	BBB	Rules 5 violation	GI absorption	Leadlikeness violations
1	1935	Tacrine	-8.86±0.01	-8.33±0.50	-150.2	0.316	1	High	1
2	18403988	2-naphthalen-2-ylquinolin-4-amine	-10.23±0.05	-10.1±0.65	-202.24	0.565	0	High	2
3	149800	N-benzylacridin-9-amine	-10.03±0.10	-9.16±0.23	-207.62	0.625	0	High	1
4	402658	12-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaen-19-amine	-9.9±0.051	-8.63±0.37	-189.28	0.54	0	High	2
5	54474520	3-[2-(7-fluoroquinolin-2-yl)ethenyl]aniline	-9.3±0.7	-8.7±1.75	-200.72	0.596	0	High	2
6	3438772	2-phenyl-4-pyrrolidin-1-ylquinoline	-9.7±0	-8.7±1.05	-200.55	0.559	0	High	2
7	18934490	N-phenylacridin-1-amine	-9.56±.20	-8.26±0.84	-209.77	0.485	0	High	3
8	11492743	4-fluoro-2-(6-fluoro-4-methylquinolin-2-yl)aniline	-9.4±0.3	-0.73±0.35	-183.8	0.602	0	High	2
9	69799851	4-Amino-2-styrylquinoline	-9.53±0.06	-9.067±0.9	-190.86	0.577	0	High	1
10	129829335	10-sulfidoacridin-10-ium	-9.2±0.25	-8.6±1.2	-143.64	0.708	0	High	0
11	164587579	2-benzyl-6-fluoroquinolin-4-amine	-8.63333	N/A		0.692	0	High	2
12	130408026	2-(7-fluoro-2-phenylquinolin-3-yl)ethanamine	-8.63±1.14	-8.43±1.11	-189.83	0.533	0	High	2
13	22395290	2-[(E)-2-phenylethenyl]quinolin-4-amine	-9.46±0.049	-3±0.30	-190.91	0.521	0	High	0
14	69799851	2-(2-phenylethenyl)quinolin-4-amine	-9.5±0	-8.33±1.3	-204.78	0.521	0	High	2
15	696663	12-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaen-19-amine	-9.5±0	-8.8±0.85	-185.5	0.495	0	High	0
16	402666	19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaen-12-amine	-9.16±.20	-8.83±1.59	-191.76	0.483	0	High	1
17	10587156	6-fluoro-2-(2-fluorophenyl)quinolin-4-amine	-9.4±0	-9.2±0.6	-204.53	0.692	0	High	2
18	1504001	2-phenyl-4-piperidin-1-ylquinoline	-9.23±0.048	-8.96±0.64	-195.06	0.535	0	High	2
19	164587580	2-(2-fluorophenyl)quinolin-4-amine	-9.26±0.049	-8.9±0.15	-189.2	0.662	0	High	1
20	60598	9-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroacridine	-8.96±0.1	-9.46±.20	-178.61	0.596	0	High	1
21	4452632	3-quinolin-2-ylaniline	-9.53±0.44	-8.3±1.00	-181.89	0.506	0	High	1
22	7742109	(NZ)-N-(1-phenyl-2-quinolin-2-ylethylidene)hydroxylamine	-9.3±0	-8.9±0.94	-163.54	0.487	0	High	0
23	12102730	2,4-dimethylbenzo[h]quinolin-10-amine	-9.26±0.049	-9.5±0	-155.41	0.48	0	High	1
24	21998	10-methylacridin-10-ium-9-amine	-9.2±0	-8.13±.133	-178.3	0.71	0	High	0
25	45599224	12-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaen-19-amine	-9.2±0	-8.26±1.15	-184.9	0.653	0	High	1
26	45599463	5,7-difluoro-2-phenylquinolin-4-amine	-9.16±0.048	-8.4±0.7	-204.25	0.637	0	High	0
27	22334541	N-(3-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine	-9.2±0	-7.13±0.94	-189.01	0.635	0	High	0
28	11737199	2-(2-fluorophenyl)quinolin-4-amine	-9.2±0	-8.73±1.44	-182.28	0.583	0	High	0
29	55045454	6-methyl-2-phenylquinolin-4-amine	-9.1±0	-9.2±0.3	-158.98	0.484	0	High	0
30	31633	10-methylacridin-10-ium-3-amine	-9.16±0.048	-9.93±0.15	-186.82	0.71	0	High	1
31	45599470	7,8-difluoro-2-phenylquinolin-4-amine	-8.56±.71	-7.43±1.52	-182.25	0.701	0	High	0
32	45599222	6-fluoro-2-phenylquinolin-4-amine	-9.1±0	-8.9±1.5	-190.43	0.662	0	High	1
33	21828278	2,6-diphenylpyridin-4-amine	-9.06±0.15	-7.43±0.048	-174.1	0.613	0	High	0
34	21639083	12-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaen-19-amine	-8.96±0.149	-8±0.7	-196.44	0.607	0	High	0
35	43419931	N-[(4-fluorophenyl)methyl]-2-methylquinolin-4-amine	-9.03±0.20	-8.83±0.63	-191.29	0.545	0	High	0
36	129641425	2-(2-phenylethenyl)quinolin-3-amine	-9.1±0	-7.13±1.16	-167.55	0.521	0	High	1
37	12394207	2-phenyl-4-piperidin-1-ylquinoline	-9.13±0.49	-8.4±0.15	-192.01	0.518	0	High	0
38	10980245	2-(2-fluorophenyl)quinolin-4-amine	-8.86±0.01	-8.3±0.30	-150.2	0.506	0	High	0