Table 2.

ADME and Toxicity analysis of top thirty-two Hits against MurB.

S. No.	Compound ID	PPB (%)	BBB	HIA	Aqueous	Ames	Hepato-	Max. Tolerated dose
					Solubility (moles/L)	Toxicity	Toxicity
1	CSID1438694	100.62	−0.04	95.18	−5.55	Yes	Yes	0.56
2	CSID2166135	97.47	0.14	92.73	−4.79	Yes	Yes	0.654
3	CSID 1,655,442	97.36	−0.56	89.63	−4.66	Yes	Yes	0.465
4	CSID2154128	93.78	0.1	93.16	−5	No	Yes	−0.551
5	CSID2165834	93.7	−0.08	87.68	−2.89	Yes	No	0.438
6	CSID2156566	94.15	3.99	90.89	−4.7	No	Yes	−0.152
7	CSID2140363	97.05	0	96.81	−6.03	Yes	Yes	0.003
8	CSID2156621	96.56	−0.27	81.73	−2.89	Yes	No	0.438
9	CSID3866834	99.7	4.37	87.12	−5.22	No	Yes	−0.032
10	CSID2158441	95.75	0.101	89.66	−5.46	No	No	0.181
11	CSID2156999	90.29	3.95	92.55	−4.58	No	Yes	−0.169
12	DB15688	81.32	−0.72	87.05	−4	Yes	No	0.438
13	DB12983	95.91	−0.87	78.53	−6.67	Yes	No	0.438
14	DB14773	99.15	−0.23	83.69	−4.81	Yes	No	0.438
15	DB06229	95.56	−0.13	88.71	−4.02	Yes	No	0.438
16	DB12424	93.08	−0.32	80.94	−4.31	Yes	No	0.438
17	DB15396	93.51	0.295	87.5	−4.13	Yes	No	0.438
18	DB15401	95.37	0.62	86.37	−2.7	Yes	No	0.438
19	DB03461	11.77	−5.17	0	−1.15	No	No	0.438
20	DB11852	97.51	0.24	83.96	−6.16	Yes	No	0.438
21	DB08901	93.43	0.39	87.5	−4.22	Yes	No	0.438
22	ZINC003975327	84.03	−2.7	100	−2.89	No	Yes	0.436
23	ZINC254071113	96.9	−2.15	61.57	−3.4	No	Yes	0.52
24	ZINC084726167	83.57	−1.2	92.64	−4.57	No	Yes	−0.214
25	ZINC008215434	67.03	−3.28	22.49	−2.89	No	No	0.274
26	ZINC095539256	89.47	−1.85	50.32	−2.9	No	No	0.335
27	ZINC003934128	98.93	−1.44	100	−2.89	No	No	0.434
28	ZINC004215770	73.46	−1.75	67.67	−3.14	Yes	No	0.176
29	ZINC003780340	77.53	−0.39	100	−2.89	No	No	0.438
30	ZINC003978083	51.37	−2.89	91.33	−2.9	Yes	Yes	0.142
31	ZINC011616153	85.38	−2.058	61.41	−3.46	No	Yes	0.957
32	ZINC001893112	96.67	3.37	92.69	−4.28	No	Yes	0.346