International Scholarly Research Notices / 2013 / Article / Tab 1

Research Article

Molecular Docking and Quantum Mechanical Studies on Pelargonidin-3-Glucoside as Renoprotective ACE Inhibitor

Table 1

Molecular and ADME properties of compounds.

Molecular
weight
(in gms)
H-bond
acceptor
H-bond
donor
Solubility
(mg/mL)
Molar
refractivity
TPSA
AutoDock
scores
FlexX
scores
Hex
scores

Pelargonidin-
3-glucoside
433.385970.6760.521106.2712173.218.7−27.7−359.5
Perindopril
(commercial
drug)
368.467620.90.0292896.17695.95.2−27.3−239.2