International Scholarly Research Notices

Research Article

2D-QSAR, Docking Studies, and In Silico ADMET Prediction of Polyphenolic Acetates as Substrates for Protein Acetyltransferase Function of Glutamine Synthetase of Mycobacterium tuberculosis

ADMET prediction of PAs.


	ADMET absorption level	ADMET AlogP98	ADMET unknown AlogP98	ADMET PSA_2D	ADMET BBB level	ADMET BBB	ADMET solubility	ADMET solubility level	ADMET hepatotoxicity	ADMET hepato- toxicity probability	ADMET CYP2D6	ADMET CYP2D6 probability	ADMET PPB level

1	0	0.345	0	119	4		−1.06	4	0	0.019	0	0.455	0
2	0	0.594	0	59.49	3	−0.91	−1.05	4	0	0.066	0	0.029	0
3	0	1.339	0	50.56	3	−0.54	−1.69	4	0	0.052	0	0.118	0
4	0	0.328	0	63.37	3	−1.06	−0.93	4	0	0.052	0	0.029	0
5	0	2.78	0	89.24	3	−0.71	−2.72	3	0	0.052	0	0.455	0
6	0	4.605	0	89.24	4		−3.72	3	0	0.066	0	0.435	1
7	0	5.149	0	59.49	1	0.496	−4.26	2	0	0.052	0	0.405	2
8	0	0.051	0	89.24	3	−1.55	−0.75	4	0	0.059	0	0.277	0
9	0	−0.01	0	71.38	3	−1.29	−0.19	4	0	0.046	0	0.029	0
10	2	−1.33	0	130.9	4		0.014	5	0	0.086	0	0.247	0
11	1	−0.97	1	134.2	4		−0.74	4	0	0.052	0	0.277	0
12	0	2.269	0	89.24	3	−0.87	−2.33	3	0	0.152	0	0.366	0
13	1	0.213	0	130.9	4		−1.13	4	0	0.039	0	0.386	0
14	0	1.357	0	89.24	3	−1.15	−1.72	4	0	0.066	0	0.316	0