The volume of a molecule calculated as the trace of the center of the probe sphere
A measure of the departure of a molecule from the spherical shape corresponding to VDW surface
A measure of the departure of a molecule from the spherical shape corresponding to solvent accessible surface
The ratio of the longest to the shortest side of a rectangle having the minimum area
Molecular thickness
Mass density
Shadow area in the XZ plane
A vector quantity which encodes displacement with respect to the centre of gravity of charges (MPEOE charge)
Relative shadow area in the XY plane
The dipole moment x component about center of mass (MPEOE charge)