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 ŠLength perpendicular to the max area 21.14 ŠLength perpendicular to the min area 24.33 Švan 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 ...