In silico investigations on curcuminoids from Curcuma longa as positive regulators of the Wnt/β-catenin signaling pathway in wound healing

Egyptian Journal of Medical Human Genetics

Table 2 Result of drug likeness property analysis of curcumin I (PubChem CID: 969516), curcumin II (PubChem CID:5469424), and curcumin III (PubChem CID: 5315472). Lipinski’s rule of five: molecular weight: < 500, number of H-bond donors: ≤ 5; number of H-bond acceptors: ≤ 10; lipophilicity (expressed as LogP): < 5; and molar refractivity: 40–130

Drug likeness properties	Curcumin I	Curcumin II	Curcumin III
Molecular weight	368.38 g/mol	338.35 g/mol	308.33 g/mol
LogP	3.27	2.78	1.75
LogS	− 3.94	− 3.92	− 3.8
H-bond acceptor	6	5	4
H-bond donor	2	2	2
Molar refractivity	102.8	96.31	89.82
Heavy atoms	27	12	23
TPSA	93.06 Å²	83.83 Å²	74.60 Å²
Rotatable bonds	8	8	6
Drug likeness score	− 2.63	− 3.55	− 4.48
Drug score	0.53	0.41	0.41