Table 3. Docking score for all studied compounds.

Compd.	Total score	Crash	Polar	D-score	PMF-score	G-score	Chemscore	Cscore
2Y1	5.08	–2.86	1.10	–175.57	–112.44	–287.75	–17.36	5
2Y2	6.81	–2.18	1.75	–129.30	–45.49	–214.12	–21.77	4
2Y4	6.75	–1.59	1.03	–134.51	–73.40	–280.51	–20.03	5
2Y5	7.08	–2.26	1.01	–166.80	–46.59	–309.23	–20.79	5
2Y6	4.24	–4.70	1.26	–152.27	–95.77	–254.47	–16.16	4
2Y7	4.40	–2.03	0.81	–131.76	–31.45	–246.82	–18.30	3
2Y10	7.28	–1.95	0.82	–140.79	–58.95	–271.70	–17.60	4
2Y11	6.13	–2.81	1.37	–145.01	–20.04	–270.31	–16.18	3
3Y1	4.83	–1.77	2.21	–135.54	–77.55	–183.19	–16.81	3
3Y2	4.76	–3.10	1.12	–147.28	–49.61	–251.52	–20.79	4
3Y3	6.62	–2.08	1.05	–130.97	–18.64	–258.47	–21.47	4
3Y4	6.86	–2.00	1.00	–127.72	–19.14	–229.53	–21.42	2
3Y5	7.91	–2.43	1.14	–127.23	–12.69	–256.19	–21.01	4
3Y7	4.12	–3.33	0.99	–109.98	–54.86	–218.05	–15.43	2
3Y8	9.28	–2.66	1.00	–111.99	–29.50	–242.11	–15.54	2
3Y9	6.56	–2.83	0.98	–127.58	–21.39	–292.87	–19.41	4
3Y10	7.47	–1.37	0.86	–120.10	–10.91	–237.96	–24.50	4
5Y1	6.90	–2.93	0.87	–153.32	–47.13	–254.76	–15.29	3
5Y2	7.70	–1.78	1.15	–138.32	–39.58	–218.84	–20.41	3
5Y3	7.13	–3.50	2.28	–121.80	–18.81	–209.80	–23.74	3
5Y4	7.72	–3.54	1.01	–136.19	–62.07	–245.72	–16.15	3
5Y5	8.89	–3.50	1.08	–131.91	–34.06	–232.12	–15.56	3
5Y6	4.90	–2.64	1.12	–128.92	–31.16	–235.49	–19.95	2
5Y7	4.75	–3.14	0.77	–126.24	–27.07	–222.16	15.34	3
5Y8	9.56	–1.50	1.20	–117.20	–53.31	–227.72	–16.86	4
5Y9	5.84	–1.79	0.88	–127.90	–36.48	–251.70	–14.69	3
5Y10	7.78	–2.30	2.28	–116.73	–15.37	–200.69	–23.06	3