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. Author manuscript; available in PMC: 2013 Oct 25.
Published in final edited form as: J Med Chem. 2012 Oct 8;55(20):8807–8826. doi: 10.1021/jm3011146

Figure 2.

Figure 2

Tree based on the pairwise Tanimoto-fingerprint distances between the 25 COX inhibitors tested in the present study. The heat map highlights the distances calculated in the first 5 principal components space (% variance explained > 90%) originating from 10 physico-chemical descriptors (i.e. net charge, MW, LogP, LogS, HBD, HBA, PSA, no. of atoms, no. of rings and no. of rotatable bonds).