Posts

Showing posts from April, 2020

Bioactive Compunds VI

Geometrical Descriptors Fig 1:  Geometrical Descriptors of   Tannic acid Geometrical Descriptors Value Dreiding energy 355.80 kcal/mol MMFF94 energy 497.86 kcal/mol Minimal projection area 214.44 Maximal projection area 325.85 Ų Minimal projection radius 325.85 Ų Maximal projection radius 12.34 Å Length perpendicular to the max area 21.14 Å Length perpendicular to the min area 24.33 Å van der Waals volume 1313.07 ų Fig 2:  Geometrical Descriptors of   Catchin Geometrical Descriptors Value Dreiding energy 45.02 kcal/mol MMFF94 energy 70.46 kcal/mol Minimal projection area 38.30 Maximal projection area 80.02 Ų Minimal projection radius 4