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. 2020 Dec 28;21(Suppl 21):499. doi: 10.1186/s12859-020-03849-z

Table 2.

Molecular properties of the top five phenolics

Phenolic Mol. weight ALogP #Rotatable Bonds Polar surface area HBA (lipinski) HBD (lipinski) #Ro5 violations (lipinski) Aromatic rings
Resveratrol 228.25 2.97 2 60.69 3 3 0 2
Curcumin 368.39 3.85 7 96.22 6 3 0 2
Quercetin 302.24 1.99 1 131.36 7 5 0 3
Epigallocatechin gallate 458.38 2.23 3 197.37 11 8 2 3
Genistein 270.24 2.58 1 90.9 5 3 0 3