3D_VDW_surface
The surface area of a molecular calculated by van der Waals surface area
Quadrupole_MPEOE
Total quadrupole moment (MPEOE charge)
3D_VDW_volume
The volume of a molecular calculated by van der Waals radius
Quadrupole_Qxx_cm_MPEOE
The quadrupole moment xx component about center of mass (MPEOE charge)
3D_SA_surface
The surface area of a molecule calculated as the trace of the center of the probe sphere
Quadrupole_Qyy_cm_MPEOE
The quadrupole moment yy component about center of mass (MPEOE charge)
3D_Harary
3D Harary index
PMI_3rd
The 3rd diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_C)
3D_Balaban
3D Balaban index
Inertial_shape_factor
Inertial shape factor