COCONUT Analytics: Natural Product Chemical Space Exploration
Natural product chemistry is intrinsically complex, with molecules exhibiting diverse structural features and bioactivities. This analytics dashboard provides comprehensive insights into the COCONUT (COlleCtion of Open NatUral producTs) database, enabling researchers to explore chemical space distributions, structural patterns, and property relationships across various natural product families.
Total atom count
Heavy atom count
Molecular weight
Exact molecular weight
Alogp
Topological polar surface area
Rotatable bond count
Hydrogen bond acceptors
Hydrogen bond donors
Hydrogen bond acceptors Lipinski
Hydrogen bond donors Lipinski
Lipinski's rule of 5 violations
Aromatic rings count
QED drug likeness
Formal charge
Fraction Csp3
Number of minimal rings
Van der Waals volume (Vw )
Collection Overlap Heatmap
NP Classifier Distribution by Collection
Chart Filters
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