Table 21.

Drug-likeness parameter values for the top hit compounds.

Compound	Drug-likeness						Synthetic Accessibility
	MW (g/mol)	TPSA (Å2)	ESOL Log S	Fraction Csp3	#Rotatable bonds	Bioavailability Score
1	551.63	228.28	−3.55	1	19	0.11	6.9
2	517.61	187.82	−4.57	0.92	18	0.11	6.68
3	584.72	248.67	−2.71	0.96	20	0.17	6.81
4	452.42	269.95	0.89	0.93	12	0.11	5.8
27	635.52	312.43	−3.24	0.22	11	0.17	5.3
31	550.26	97.93	−7.23	0.16	5	0.56	3.92
58	733.96	215.95	−7.45	0.92	14	0.11	8.69
59	731.94	215.95	−6.99	0.82	15	0.11	8.55
60	676.92	138.07	−7.22	0.85	13	0.55	8.61
61	578.73	138.07	−5.28	0.69	12	0.55	7.51
62	688.89	147.3	−7.44	0.69	16	0.55	7.62
63	708.92	178.53	−5.6	0.85	13	0.17	8.72
64	737	208.21	−6.47	0.82	15	0.17	8.42
65	719.7	314.05	−1.87	0.55	17	0.11	6.48
66	730.89	138.07	−7.73	0.85	14	0.55	8.53
67	772.97	138.07	−8.63	0.86	15	0.55	8.96
68	731.88	150.1	−7.1	0.84	14	0.17	8.38
69	543.82	84.94	−7.39	0.82	10	0.17	7.53
70	537.77	84.94	−7.54	0.65	10	0.17	7.07
71	518.69	97.3	−5.91	0.47	10	0.55	6.54
72	533.72	89.87	−6.84	0.48	10	0.55	6.25
73	506.68	97.3	−5.65	0.52	10	0.55	6.74
74	563.73	139.4	−6.24	0.59	10	0.55	6.93
75	539.71	139.4	−5.3	0.7	8	0.55	7.07