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Table 6 The molecular descriptor, Bioactivity radar, and bioactivity score of 6-Gingerol

From: Structure based docking and biological evaluation towards exploring potential anti-cancerous and apoptotic activity of 6-Gingerol against human prostate carcinoma cells

Molecular descriptor

Paraments

Values

LogP

3.22

Topo polar surface area (TPSA)

66.76

Number of hydrogen bond donors (nON)

4

Number of hydrogen bond acceptors (nNHOH)

2

Molecular weight (MW)

294.39

Number atom (nAtom)

21

Number rotatable (nRotab)

10

Volume

295.61

Absorption percentage (%)

85.97

Bioactivity radar

Bioactivity score

 GPCR ligands

0.16

 Ion channel modulators (ICM)

0.04

 Kinase inhibitors (KI)

-0.33

 Nuclear receptors ligand (NRL)

0.20

 Protease inhibitor (PI)

0.15

 Enzyme inhibitor (EI)

0.38