Synthesis, In Silico, and Biological Applications of Novel Heteroleptic Copper (II) Complex of Natural Product-Based Semicarbazone Ligands

Table 6

Drug-likeness analysis of L₁ and L₂ estimation by Swiss ADME.

S. No.	Ligands	Mass (g/mol)	NHD	NHA	NRB	TPSA (Å^2)	(iLOGP) lipophilicity	(ESOL) water solubility	Synthetic convenience	Lipinski’s rule (zero violations)
1	L 1	248.24	4	4	6	134.96	−0.43	−0.78	2.37	0
2	L 2	249.27	3	4	5	96.94	1.42	−1.90	2.80	0
3	[Cu(L1) (L2)	559.01	4	4	5	102.6	1.46	−2.05	3.05	0
	Trimethoprim	290.32	2	5	5	105.51	2.21	−2.31	2.58	0
	Ascorbic acid	176.12	4	6	2	107.22	−0.31	0.23	3.47	0

(NHD) = number of hydrogen donors, (NRB) = number of rotatable bonds, (NHA) = number of hydrogen acceptors, and (TPSA) = total polar surface area.