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Figure 2 | Journal of Cheminformatics

Figure 2

From: BioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts

Figure 2

Overall distribution of chemical, biological and physicochemical properties of 623 BioPhytMol phytomolecules. The outermost circle represents the broad chemical structure of compounds i.e., they are cyclic or aliphatic. The next ring depicts the biological activity of the compounds in terms of MIC ≤ 50 μg/ml and mycobacterial growth % inhibition > 90. The subsequent rings represent six graphs of calculated physicochemical properties. All the compounds are sorted in the increasing order of their molecular weight. The innermost graph is the representation of near neighbours (NN) amongst B_mols. The four compounds: T-cadinol, Maniladiol, Faradiol and Erythrodiol are nearest neighbours with difference in molecular weight between T-cadinol and the rest of the three compounds. Important structural differences may be the reason behind different MICs.

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