Table 2.

Values of Molecular descriptors.

mol	FAR	b_rotR	dipoleX	lip_acc	logP (o/w)	PEOE_VSA-5	PM3_HF	pmiZ	SlogP	AM1_HOMO	AM1_LUMO	apol	E	mr	vdw_area
1	1.29	0.07	−0.49	4.00	0.96	27.13	−89.97	74.19	1.11	−9.16	−1.18	25.77	13.32	4.98	175.36
2	1.43	0.06	−0.65	4.00	1.59	27.13	−96.03	173.70	1.76	−9.22	−1.29	27.29	13.36	5.46	192.94
3	1.53	0.06	−0.20	4.00	1.79	27.13	−81.68	375.34	1.87	−9.24	−1.35	28.16	12.57	5.71	204.71
4	1.23	0.12	−1.17	4.00	1.42	27.13	−80.80	73.62	1.22	−9.02	−0.97	31.96	35.74	5.96	224.84
5	0.98	0.11	−0.52	4.00	2.05	27.13	−86.95	422.78	1.87	−9.06	−1.15	33.47	34.41	6.45	242.42
6	0.77	0.21	−0.83	4.00	2.10	27.13	−91.81	400.35	2.00	−8.97	−0.92	38.15	32.81	6.91	259.31
7	1.61	0.20	0.00	4.00	2.73	27.13	−97.36	498.44	2.65	−8.97	−1.14	39.66	30.41	7.40	276.89
8	0.80	0.20	−0.14	4.00	2.93	27.13	−81.63	634.13	2.76	−9.03	−1.15	40.53	31.04	7.65	288.66
9	1.82	0.27	−0.09	4.00	3.37	27.13	−45.24	1165.13	2.99	−8.99	−1.19	43.18	35.92	8.23	308.50
10	3.64	0.27	−0.29	4.00	3.58	27.13	−31.30	682.66	3.09	−9.05	−1.19	44.05	36.72	8.48	320.28
11	0.84	0.29	−0.52	4.00	2.03	29.64	29.62	244.48	1.23	−9.04	−1.08	39.00	32.45	7.52	288.08
12	1.24	0.27	−0.22	4.00	2.86	29.64	37.90	887.20	1.99	−9.12	−1.23	41.38	31.63	8.26	317.43
13	11.34	0.19	−0.53	4.00	4.99	27.13	−24.24	1658.82	4.89	−8.97	−1.04	58.42	71.03	10.97	365.84
14	28.70	0.19	−0.86	4.00	5.83	27.13	−15.42	3349.24	5.66	−9.09	−1.13	60.80	70.02	11.72	395.20
15	0.85	0.19	−0.10	6.00	2.45	38.50	−9.46	1434.52	3.68	−8.87	−0.77	55.76	73.39	10.65	362.13
16	0.87	0.19	0.77	6.00	3.08	38.50	−12.54	283.35	4.34	−9.02	−1.23	57.27	73.28	11.15	379.71
17	8.22	0.19	0.62	6.00	3.29	38.50	−0.46	622.57	4.45	−8.99	−1.08	58.14	73.45	11.40	391.48
18	224.70	0.22	0.94	6.00	4.31	24.93	10.66	1109.62	5.26	−9.21	−1.15	58.14	75.45	11.51	387.86

Note: The full name of descriptors can found in annex immediately after the conclusion.