Molecular Descriptors

Sum of hydrogen E-state for Avin type

Sum of hydrogen E-state for hydrophobic atoms

Sum of hydrogen E-state for polar atoms

Sum of hydrogen E-state for Hbond donor

Sum of hydrogen E-state for (+) charged group

Sum of hydrogen E-state for non-classifed atoms

Kier & Hall molecular connectivity index order 0

Kier & Hall molecular connectivity index order 1

Kier & Hall molecular connectivity index order 2

Kier & Hall molecular connectivity index order 3 (path)