Table 9. Predicted ADMET properties for the DAPH molecule and its Ni–DAPH metal complex using the ADMETlab 2.0 and Protox II platforms.

Compounds	PPBa (%)	BBBb	HIAc	CLd	T 1/2 e	LD50f (mg kg−1)	TPSAg (Å2)	Based on Lipinski rule					Lipinski's violation
								NHDh	NHAi	NRBj	MWk(g mol−1)	MLOGPl
DAPH	78.77	0.004	0.012	13.611	1.375	1540	70.67	2	4	0	178.03	0.772	0
Ni–DAPH	99.12	0.004	0.96	5.989	0.957	5370	247.87	8	16	4	776.09	4.071	3

^aPlasma Protein Binding.

^bBlood–Brain Barrier Penetration.

^cHuman Intestinal Absorption.

^dPlasma Clearance.

^ehalf-life drugs.

^fLethal Dose.

^gTopological polar surface area.

^hNumber of hydrogen bond donors.

ⁱNumber of hydrogen bond acceptors.

^jNumber of rotatable bonds.

^kMolecular weight.

^lcalculated lipophilicity.