In Silico and In Vitro Analysis of the 4,4′,4′′-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triphenol), an Antioxidant Agent with a Possible Anti-Inflammatory Function

Table 4

Structural properties evaluation of the two ligands.

Compounds	TPSA	Volume	Nrotb	n-OHNH donors	n-OH acceptors	miLogP
	(Å^2)	(Å^3)
Quercetin	131.35	240.08	1	5	7	1.68
Triazine-Phenol derivative	135.44	347.06	6	6	9	4.80

TPSA: topological polar surface area, nrotb: number of rotatory bonds, n-OHNH: number of hydrogen bond donors, n-OH: number of hydrogen bond acceptors, miLogP: octanol/water partition coefficient. The data was determined using the Molinspiration calculation software v2018.10 [16].