Table 2 Molecular properties of the top five phenolics
From: In silico ranking of phenolics for therapeutic effectiveness on cancer stem cells
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 |