Abstract: The invention comprises neutral multi-functionality assemblies of pharmaceuticals comprising an active medicinal functionality, a transition metal functionality, and an ancillary ligand functionality. An exemplary series of mixed-ligand coordination complexes comprised of copper(II), a drug and an ancillary ligand were made and tested. It is demonstrated that the judicious choice of an ancillary ligand affords a large degree of control over die relative lipophilicity/hydrophilicity of the complex in relation to the uncomplexed drug molecule. The important factors to be considered in the design of such complexes, such as the additive-constitutive nature of the partition coefficient of the ancillary ligand and the relative size of the two types of ligands are disclosed, and methods of designing neutral multi-functionality assemblies of pharmaceuticals are disclosed.