Table 3. ADMET and Drug-likeness Profiles of the Compounds.

	molecular weight (g/mol)	blood–brain barrier (BBB+)	Caco-2 permeability (Caco2+)	% human intestinal absorption (HIA+)	TPSA A2	logp	HBA	HBD	N rotatable	N violations	GI absorption	carcinogenicity
acceptable ranges	130–500	–3 to 1.2	<25 poor, 500 great	<80% high, >25% low	≤140	<5	2.0–20.0	0.0–6.0	≤10	≤1		noncarcinogenic
3a	332.36	0.97	55.68	99.53	83.25	1.78	5	1	5	0	high	noncarcinogenic
3b	408.45	0.98	61.78	100.00	74.46	3.15	5	0	6	0	high	noncarcinogenic
3c	498.45	0.90	50.86	99.39	166.12	1.47	9	0	8	1	low	noncarcinogenic
4a	392.41	0.83	51.72	98.24	101.71	1.18	7	1	7	0	high	noncarcinogenic
4b	468.50	0.87	53.48	99.66	92.92	2.50	7	0	8	0	high	noncarcinogenic
4c	558.50	0.80	50.00	99.26	184.66	0.92	11	0	10	2	low	noncarcinogenic
5a	375.42	0.88	57.66	99.13	86.49	1.70	5	1	6	0	high	noncarcinogenic
5b	451.52	0.94	62.83	100.00	77.70	3.02	5	0	7	0	high	noncarcinogenic
5c	541.51	0.74	51.45	99.29	169.36	1.39	9	0	9	2	low	noncarcinogenic
6a	348.36	0.79	55.60	98.95	103.48	1.25	6	2	5	0	high	noncarcinogenic
6b	424.45	0.89	53.85	100.00	94.69	2.61	6	1	6	0	high	noncarcinogenic
6c	514.45	0.73	52.45	99.13	186.35	0.99	10	1	8	2	high	noncarcinogenic
7a	377.35	0.85	50.75	95.12	129.07	0.90	7	1	6	0	high	noncarcinogenic
7b	453.45	0.90	50.86	99.39	120.28	2.27	7	0	7	0	high	noncarcinogenic
7c	543.44	0.90	50.86	99.39	211.94	0.72	11	0	9	2	low	noncarcinogenic
8a	358.39	0.97	55.68	99.53	83.25	2.16	5	1	6	0	high	noncarcinogenic
8b	434.49	0.98	61.78	100.00	74.46	3.48	5	0	7	0	high	noncarcinogenic
8c	524.48	0.90	50.86	99.31	166.12	1.81	9	0	9	2	low	noncarcinogenic
9a	401.46	0.88	57.66	99.13	86.49	2.07	5	1	7	0	high	noncarcinogenic
9b	477.56	0.94	62.83	100.00	77.70	3.35	5	0	8	0	high	noncarcinogenic
9c	567.55	0.74	51.45	99.29	169.36	1.72	9	0	10	2	low	noncarcinogenic