Table 9.

Pharmacophore characteristics and pICT₅₀ values calculated for the sorted molecules.

ZINC Molecules Selected	Pharmacophoric Characteristics				Tanimoto Index	Calculated pICT50
	A	GF	SF	Hyd		Eq1	Eq2	Eq3	Eq4
ZINC08791938	34	13	13	5	0.67	1.3738	1.4623	1.0391	1.1053
ZINC08990240	42	16	16	8	0.71	1.9716	2.0316	1.5027	1.5047
ZINC08992920	37	14	14	6	0.66	1.5730	1.6520	1.2048	1.2522
ZINC09060391	43	13	13	4	0.71	1.3738	1.4853	1.3399	1.5084
ZINC10104345	42	15	15	7	0.77	1.7723	1.8418	1.4373	1.4823
ZINC10104354	36	13	13	5	0.70	1.3738	1.4623	1.1059	1.1883
ZINC10104357	39	14	14	6	0.73	1.5730	1.6520	1.2716	1.3353
ZINC10233741	30	11	11	3	0.68	0.9752	1.0827	0.7746	0.8944
ZINC10233742	39	14	14	6	0.76	1.5730	1.6520	1.2716	1.3353
ZINC10233743	31	11	11	3	0.65	0.9752	1.0827	0.8080	0.9359
ZINC10233744	40	13	13	4	0.61	1.3738	1.4853	1.2396	1.3838
ZINC10233745	40	13	13	4	0.61	1.3738	1.4853	1.2396	1.3838
ZINC10233747	33	12	12	4	0.67	1.1745	1.2725	0.9403	1.0414
ZINC10233748	34	12	12	4	0.64	1.1745	1.2725	0.9737	1.0829
ZINC08706084	36	14	14	6	0.70	1.5730	1.6520	1.1714	1.2107
ZINC08706127	39	15	15	7	0.73	1.7723	1.8418	1.3371	1.3577
ZINC08706179	41	13	13	4	0.61	1.3738	1.4853	1.2730	1.4254
ZINC08706191	37	14	14	6	0.62	1.5730	1.6520	1.2048	1.2522
ZINC08706200	37	11	11	2	0.62	0.9752	1.1057	1.0085	1.2145
ZINC08706215	40	12	12	3	0.61	1.1745	1.2955	1.1742	1.3615
ZINC08709887	43	14	14	5	0.61	1.5730	1.6750	1.4053	1.5308
ZINC08710197	36	13	13	5	0.75	1.3738	1.4623	1.1059	1.1883
ZINC08724916	37	11	11	2	0.61	0.9752	1.1057	1.0085	1.2145
ZINC08725388	43	14	14	5	0.61	1.5730	1.6750	1.4053	1.5308