Table 2. Physiochemical Properties of Compounds 1–17.

compound	MWa	HBAb	HBDb	RBb	tPSAb	cLogPb	log BBc
1	242.32	2	2	0	58.88	1.88	–0.45
2	321.22	2	2	0	58.88	2.53	–0.35
3	368.22	2	2	0	58.88	2.56	–0.34
4	260.31	3	2	0	58.88	2.26	–0.39
5	256.35	2	2	0	58.88	2.22	–0.39
6	270.38	2	2	1	58.88	2.55	–0.34
7	267.33	3	2	0	82.67	1.71	–0.82
8	257.34	2	3	0	84.90	1.40	–0.90
9	258.32	3	3	0	79.11	1.58	–0.79
10	272.35	3	2	1	68.11	1.88	–0.58
11	286.38	3	2	2	68.11	2.21	–0.53
12	300.40	3	2	3	68.11	2.57	–0.48
13	314.43	3	2	4	68.11	2.91	–0.43
14	256.35	3	1	1	48.14	2.50	–0.19
15	284.40	3	0	2	25.36	3.09	0.23
16	284.40	2	0	1	25.36	3.09	0.23
17	270.37	2	1	1	36.10	2.92	0.05
donepezild	381.51	4	0	6	38.77	3.85	0.15
required parameterse	<500	<10	<5	<10	<90	2–5	>−1.00

^aCalculated using ChemBioDraw Ultra16.0. MW: molecular weight.

^bCalculated using SwissADME (http://www.swissadme.ch/).³⁰ HBA: number of hydrogen acceptors; HBD: number of hydrogen donors; RB: number of rotatable bonds; tPSA: total polar surface area; cLog P: log octanol/water partition coefficient.

^clog BB = −0.0148 × tPSA + 0.152 × cLogP + 0.139.²⁸

^dDonepezil, a known selective AChE inhibitor.²⁹

^eRequired parameters necessary to fulfill appropriate physiochemical properties as judged appropriately according to Lipinski’s rules and those important for BBB permeation.²⁷