Table 7. In Silico ADME Prediction of the Remaining Chemical Analogues.

s. no	PubChem CID	M.W (g/mol)	no. of H-bond acceptors and donors		M.R	C log Po/w	solubility	GIA	B3P	CYP3A4 inhb	P-gpS	Lipinski’s (violations)	Veber’s (violations)	B.S
1	22288010	474.41	11	05	115.85	0.68	soluble	low	no	no	yes	yes(1)	no(1)	0.55
2	74977829	430.40	09	04	109.42	1.20	soluble	high	no	yes	yes	yes	yes	0.55
3	10454451	414.41	08	04	108.75	1.80	moderate	high	no	yes	yes	yes	yes	0.55
4	163020300	418.52	06	02	109.66	2.34	soluble	high	no	no	yes	yes	yes	0.55
5	5748594	464.38	12	08	110.16	–0.27	soluble	low	no	no	no	no (2)	no (1)	0.55
6	12443368	432.38	10	06	106.11	0.31	soluble	low	no	no	no	yes (1)	no (1)	0.55
7	73981696	478.40	12	07	114.63	0.11	soluble	low	no	yes	yes	no (2)	no (1)	0.17
8	10095770	460.43	10	04	115.05	1.00	soluble	low	no	yes	yes	yes	no (1)	0.55
9	11546834	448.38	11	07	108.13	–0.11	soluble	low	no	no	no	no (2)	no (1)	0.17
10	5321398	432.38	10	06	106.11	0.45	soluble	low	no	no	no	yes (1)	no (1)	0.55
11	53398699	458.40	10	04	113.83	0.89	soluble	low	no	yes	yes	yes	no(1)	0.55
12	44147684	482.44	10	05	120.55	1.59	moderate	low	no	yes	no	yes	no (1)	0.55
13	131751472	478.40	12	07	115.49	0.13	soluble	low	no	yes	no	no (2)	no (1)	0.17
14	14887606	492.39	13	07	115.24	–0.29	soluble	low	no	no	yes	no (2)	no (1)	0.11
15	442725	492.43	12	06	115.89	0.10	soluble	low	no	no	yes	no (2)	no (1)	0.17
16	14681458	490.41	12	07	118.37	0.26	soluble	low	no	no	no	no (2)	no (1)	0.17
17	5918474	446.40	10	05	110.58	0.79	soluble	low	no	yes	yes	yes	no (1)	0.55
18	11248556	476.57	05	03	144.52	1.89	moderate	high	no	yes	yes	yes	yes	0.55
19	44257871	446.40	10	06	111.08	0.37	soluble	low	no	no	no	yes(1)	no(1)	0.55
20	53589131	268.35	05	01	80.69	0.89	soluble	high	no	no	no	yes	yes	0.55
21	6451798	436.41	10	07	106.14	0.05	soluble	low	no	no	yes	yes (1)	no (1)	0.55
22	12302035	478.40	12	07	114.63	0.29	soluble	low	no	no	yes	no (2)	no (1)	0.17
23	5318659	434.39	10	07	106.46	–0.02	soluble	low	no	no	no	yes (1)	no (1)	0.55
24	14861226	474.41	11	05	116.71	1.16	soluble	low	no	no	yes	yes (1)	no (1)	0.55
25	159460	476.43	11	05	117.07	0.90	moderate	low	no	yes	yes	yes (1)	no (1)	0.55
26	21603474	438.43	10	06	108.76	0.56	soluble	low	no	no	yes	yes (1)	no (1)	0.55
27	44258317	446.40	10	06	111.08	0.26	soluble	low	no	yes	no	yes (1)	no (1)	0.17
28	85362951	392.36	09	06	94.51	0.11	soluble	low	no	no	no	yes (1)	no (1)	0.55
29	131752855	448.42	10	05	108.16	0.36	soluble	low	no	no	yes	yes	no (1)	0.55
30	162941227	490.59	05	03	149.42	2.20	moderate	high	no	yes	yes	yes	yes	0.55
31	102353416	490.60	05	03	149.42	2.20	moderate	high	no	yes	yes	yes	yes	0.55
32	134926872	470.56	06	02	138.93	1.34	soluble	high	no	no	no	yes	yes	0.55
33	131752176	448.38	11	06	108.66	0.11	soluble	low	no	yes	no	no (2)	no (1)	0.17
34	102158311	373.45	05	03	113.91	1.56	soluble	high	no	no	yes	yes	yes	0.55
35	14861229	474.41	11	05	116.71	1.11	soluble	low	no	no	yes	yes (1)	no (1)	0.55
36	44191068	357.40	05	02	107.08	0.91	soluble	high	no	no	yes	yes	yes	0.55
37	162901393	428.52	05	02	129.84	1.32	soluble	high	no	no	yes	yes	yes	0.55
38	24806298	475.58	06	02	133.94	2.84	moderate	high	no	yes	yes	yes	no (1)	0.55
39	5370466	478.58	05	03	142.81	2.32	moderate	high	no	yes	yes	yes	yes	0.55
40	162907626	428.48	06	02	124.51	0.26	soluble	high	no	no	yes	yes	yes	0.55
41	16037498	473.56	06	02	139.75	2.41	moderate	high	no	yes	yes	yes	yes	0.55