Computational Analysis of Gynura bicolor Bioactive Compounds as Dipeptidyl Peptidase-IV Inhibitor

Table 5

Lipinski’s rule of 5 analysis for ligands used in the study.

Compounds	Lipinski’s rule of five
	Molecular weight	Hydrogen bond donor	Hydrogen bond acceptor		Molecular polar surface area (PSA)
5-O-Caffeoylquinic acid	354.31	6	9	−0.45	164.74
trans-5-p-Coumaroylquinic acid	338.31	5	8	0.04	144.52
cis-5-p-Coumaroylquinic acid	338.31	5	8	0.04	144.52
3,4-Dicaffeoylquinic acid	516.46	7	12	1.21	211.28
3-Caffeoylquinic acid	354.31	6	9	−0.45	164.74