Quantitative aspects of chirality. I. Method of dissymmetry function

Abstract

Abstract To study molecular features connected with chirality, a procedure for the quantitative estimation of the chirality level of compounds of different classes is needed. A procedure for estimating the molecular asymmetry level relative to mirror‐reflection axes of symmetry, S 1 , S 2 , S 4 and S 6 , has been developed. The geometrical mean of these parameters is the disymmetry function ( DF ). To calculate the DF , the molecule must be fixed in the coordinate system, transferred to the main axes of inertia.