Table 3.

ADME prediction of the top ten selected ligands by using various parameters like solubility, partition, toxicity, absorption and draggability

Sl No.	Name	QPlogPo/w	QPlogS	QPlogHERG	QPPCaco	% Human Oral Absorption	PSA	Rule of Five
1.	Iso-chlorogenic acid	− 0.301	− 2.218	− 2.914	1.979	17.531	184.001	1
2.	Taxiphyllin	− 1.499	− 0.539	− 4.75	30.763	44.801	150.57	0
3.	Vasicine	1.892	− 2.465	− 4.083	2398.587	100	37.543	0
4.	( +)-Catechin	0.448	− 2.662	− 4.847	49.179	59.848	117.119	0
5.	Caffeic Acid	0.545	− 1.293	− 2.169	22.354	54.287	95.571	0
6.	2-Methyl-3-Methylene-1,4-Dioxane	0.767	− 0.233	− 2.386	9906.038	100	16.996	0
7.	Furaneol	0.225	− 0.825	− 2.715	1104.367	82.727	60.06	0
8.	Chrysoeriol	1.761	− 3.633	− 5.058	115.81	74.193	107.153	0
9.	2-Methoxy-4-Vinylphenol	1.908	− 1.623	− 3.749	3043.607	100	29.937	0
10.	Eugenol	2.661	− 2.387	− 3.954	3043.414	100	29.952	0