QSAR Study of (5-Nitroheteroaryl-1,3,4-Thiadiazole-2-yl) Piperazinyl Derivatives to Predict New Similar Compounds as Antileishmanial Agents

Table 2

Values of the obtained parameters of the studied thiadiazoles.

N		MW	MR	MV	Pc	n	D				E
1	4.932	385.40	97.67	265.60	36.597	1.66	1.45	-44404.76	-6.59	-2.84	3.75	3.04	1.844
2	4.969	419.84	102.56	277.50	34.399	1.66	1.51	-56919.44	-6.70	-2.85	3.85	3.77	2.402
	4.880	419.84	102.56	277.50	34.399	1.66	1.51	-56919.28	-6.41	-2.92	3.49	5.40	2.402
	4.581	419.84	102.56	277.50	34.399	1.66	1.51	-56919.54	-6.69	-2.88	3.82	2.20	2.402
5	4.717	391.42	96.05	255.10	42.830	1.68	1.53	-53138.85	-6.38	-3.08	3.30	7.55	1.825
6	4.921	425.87	100.95	267.00	40.057	1.68	1.59	-65653.52	-6.70	-2.88	3.82	5.74	2.199
7	4.882	470.32	103.74	271.20	46.026	1.69	1.73	-123149.92	-6.65	-2.87	3.78	6.74	2.534
8	4.602	401.46	103.75	272.30	36.730	1.69	1.47	-53199.45	-6.37	-2.48	3.89	3.56	3.210
9	4.463	435.91	108.65	284.20	34.520	1.69	1.53	-65714.15	-6.69	-2.93	3.76	6.05	3.768
	4.222	435.91	108.65	284.20	34.520	1.69	1.53	-65714.24	-6.70	-2.96	3.74	5.57	3.768
	4.618	435.91	108.65	284.20	34.520	1.69	1.53	-65714.25	-6.70	-2.97	3.73	4.39	3.768
12	4.549	407.49	102.14	261.70	42.999	1.71	1.56	-61933.62	-6.61	-2.93	3.69	6.03	3.191
13	4.624	441.94	107.03	273.70	40.210	1.71	1.61	-74448.23	-6.68	-2.96	3.72	5.14	3.565
14	4.608	486.39	109.83	277.90	46.214	1.72	1.75	-131944.63	-6.65	-2.96	3.69	5.21	3.900
15	4.983	399.43	105.86	254.80	37.730	1.77	1.56	-45371.46	-6.25	-2.81	3.44	5.62	3.856
16	4.693	433.87	110.46	264.10	35.430	1.78	1.64	-57886.14	-6.32	-2.82	3.50	5.92	3.039
	4.748	433.87	110.46	264.10	35.430	1.78	1.64	-57886.23	-6.35	-2.86	3.49	4.92	2.825
	4.367	433.87	110.46	264.10	35.430	1.78	1.64	-57886.24	-6.40	-2.72	3.68	3.96	3.956
19	4.592	405.45	104.45	237.20	44.267	1.83	1.70	-54105.54	-6.35	-2.87	3.49	5.42	3.756
20	5.029	439.90	109.05	246.50	41.356	1.84	1.78	-66620.16	-5.81	-1.95	3.86	6.30	2.956
21	4.797	484.35	112.01	249.70	47.628	1.85	1.93	-124116.56	-6.42	-2.90	3.52	4.48	2.984
22	3.983	382.40	97.23	247.90	32.430	1.71	1.54	-43830.08	-6.25	-2.94	3.31	2.15	2.784
23	3.955	399.42	103.40	243.00	32.209	1.80	1.64	-45370.34	-5.75	-2.84	2.91	8.11	1.894
24	4.638	413.45	108.96	266.10	27.642	1.76	1.55	-46440.57	-5.75	-2.82	2.94	7.46	2.414
25	4.482	427.48	113.57	282.10	25.050	1.74	1.51	-47511.32	-5.73	-2.80	2.93	8.00	2.753
26	5.000	441.51	118.18	298.20	22.805	1.72	1.48	-48581.84	-5.73	-2.12	3.60	7.38	3.239
27	4.959	455.53	122.79	314.20	20.850	1.71	1.44	-49652.19	-5.71	-2.82	2.89	7.61	3.656
28	4.482	455.53	122.95	317.90	21.003	1.70	1.43	-49652.25	-5.20	-1.92	3.27	9.94	3.557
29	5.046	489.55	134.26	334.70	21.693	1.73	1.46	-52732.28	-5.73	-2.82	2.91	7.91	4.288
30	4.100	519.58	140.07	356.30	19.321	1.72	1.45	-55850.74	-5.72	-2.82	2.90	7.84	4.162
31	4.022	483.54	126.43	309.10	22.355	1.75	1.56	-52737.79	-5.76	-2.83	2.92	7.31	2.555
32	4.032	469.52	122.72	299.10	24.975	1.76	1.56	-51666.81	-5.77	-2.83	2.94	7.35	2.392
33	3.155	425.46	112.35	262.40	34.888	1.80	1.62	-47478.41	-5.42	-3.00	2.42	5.80	0.821
34	3.222	439.49	116.96	278.50	32.136	1.78	1.57	-48548.98	-5.57	-2.81	2.76	8.18	0.927
35	4.143	436.28	100.16	268.90	40.777	1.67	1.62	-111329.43	-5.92	-2.86	3.06	5.18	3.579
36	4.319	428.46	111.91	283.90	24.314	1.72	1.50	-48052.33	-5.73	-2.82	2.91	8.65	3.130

set.