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Table 4 Topomer CoMFA contour map for the R1 and R2 fragments.

From: In Silico Quantitative Structure-Activity Relationship Studies on P-gp Modulators of Tetrahydroisoquinoline-Ethyl-Phenylamine Series

Contour   R1    R2  
  Contour level Color Volume estimate Contour level Color Volume estimate
Steric -0.014 Yellow 14.9 0.000 Yellow 0.00
  0.037 Green 29.6 0.008 Green 9.70
Electrostatics -0.014 Blue 19.5 0.000 Blue 0.00
  0.032 Red 9.60 -0.004 Red 19.8