Table 2. Compounds (3a–3l) Drug-likeness Properties^a.

compounds	MW	RB	fraction Csp3	HBA	HBD	TPSA	IlogP	GI absorption	QPlogPo/w	QPlogKp	LV	MR	QPPCaco (nm/s)	QPPMDCK (nm/s)	QPlogS
3a	358.89	4	0.22	1	1	76.95	2.86	high	3.24	–6.02	0	111.74	32.72	49.43	–4.36
3b	402.35	4	0.26	1	1	73.71	3.27	high	4.25	–5.52	0	114.80	35.72	0.09	–5.31
3c	369.44	5	0.22	3	1	122.77	1.99	high	1.90	–6.65	0	115.55	20.25	1.56	–4.11
3d	358.89	4	0.22	1	1	76.95	2.56	high	3.18	–6.02	0	111.74	32.72	12.81	–5.36
3e	338.47	4	0.26	1	1	76.95	2.87	high	3.04	–6.08	0	111.70	26.75	60.12	–5.14
3f	403.34	4	0.22	1	1	76.95	2.94	high	3.32	–6.25	0	114.43	35.43	0.10	–5.56
3g	342.82	4	0.22	2	1	61.93	2.95	high	2.81	–6.35	0	104.54	23.38	133.47	–5.17
3h	387.27	4	0.22	2	1	61.93	3.08	high	2.90	–6.57	0	107.23	23.93	0.51	–5.37
3i	338.37	4	0.22	4	0	81.73	2.07	high	1.89	–6.47	0	105.68	20.84	4.61	–4.04
3j	374.50	4	0.18	1	1	76.95	0.00	high	3.01	–5.67	0	124.24	27.01	28.75	–6.41
3k	358.44	4	0.18	2	1	61.93	3.05	high	3.18	–6.00	0	117.03	22.07	66.38	–6.21
3l	431.39	6	0.18	1	1	76.95	3.78	high	4.04	–5.89	0	124.04	41.09	0.15	–6.34
STA	466.53	2	0.32	4	2	69.45	3.19	high	3.17	–6.85	0	139.39	48.76	153.09	–7.59

^aAbbreviations representing physicochemical attributes for “drug likeness” analyzed from SWISS ADMET: MW = molecular weight, RB = number of rotatable bonds, HBA = number of hydrogen-bond acceptors, HBD = number of hydrogen-bond donors, TPSA = topological polar surface area, IlogP = logarithm of the partition coefficient, GI = gastrointestinal, QPlogP_o/w = predicted octanol/water partition coefficient, QPlogK_p = predicted skin permeability, LV = number of Lipinski violations, MR = molar refractivity, QPP_Caco = apparent Caco-2 cell permeability, QPP_MDCK = apparent MDCK cell permeability, QPlogS = predicted aqueous solubility.