Table 2 ADME prediction results of inhibitor 8c, Galantamine, and Tacrine.

NO.	ADME Prediction	8c	Galantamine	Tacrine	Recommended values
1	CNS	− 1	1	1	− 2 (inactive) − 2 (active)
2	MW	377.44	287.4	198.3	130–725
3	SASA	652.50	509.3	419.9	300.0–1000.0
4	Volume	1196.974	900	689	500.0–2000.0
5	Donor HB	1	1	1.5	0.0–6.0
6	Accpt HB	6.5	5.2	2	2.0–20.0
7	QPlogPo/w	3.59	2.01	2.50	− 2.0–6.5
8	QPlogS	− 4.96	− 2.2	− 2.9	− 6.5–0.5
9	QPPCaco	834.79	758	3374	< 25 poor, > 500 great
10	QPlogBB	− 0.82	0.38	0.10	− 3.0–1.2
11	metab	4	4	3	1–8
12	QPlogKhsa	0.39	0.01	0.02	− 1.5–1.5
13	HOA%	100.00	90	100	< 25% poor, > 80% high
14	PSA	94.16	43.30	31.57	7.0–200.0
15	Rule of five	0	0	0	Maximum is 4
16	Rule of three	0	0	0	Maximum is 3

CNS Predicted central nervous system activity, − 2 (inactive) − 2 (active), MW Molecular weight of the molecule, SASA Total solvent-accessible surface area, in square angstroms, using a probe with a 1.4 Å radius, Volume Total solvent-accessible volume, in cubic angstroms, using a probe with a 1.4 Å radius, Donor HB Estimated number of hydrogen bonds that would be donated by the solute, Accpt HB Estimated number of hydrogen bonds that would be accepted by the solute, QPlogPo/w Predicted octanol/water partition coefficient, QPlogS Predicted aqueous solubility. S in mol/dm³, is the concentration of the solute’s saturated solution that is in equilibrium with crystalline solid, QPPCaco Predicted apparent Caco-2 cell permeability in nm/s (a model for the gut–blood barrier), QPlogBB Predicted brain/blood partition coefficient, Metab Number of primary metabolites, QPlogKhsa Prediction of binding to human serum albumin, %HOA Predicted qualitative human oral absorption, PSA Van der Waal surface area of polar nitrogen and oxygen atoms, ROF Number of violations of Lipinski’s rule of five, molecular weight < 500, QPlogPo/w < 5 number of hydrogen bond donors ≤ 5, number of hydrogen bond acceptors HB ≤ 10, ROT Number of violations of Jorgensen’s rule of three (QPlogS > − 5.7, QPCaco > 22 nm/s, number of primary metabolites < 7).

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