Table 7.

Charge density of the outermost molecular orbital of three entries of Nocodazole structures obtained from PDB along with the map of electrostatic potential (MEP). The MO energies were calculated at B3LYP/6-311+G∗ level of theory.

	Entry-1	Entry-2	Entry-3
L+2
L+1
LUMO
HOMO
H-1
H-2
MEP