Fig. 1: Calculated physicochemical properties of series including CNS multiparameter optimisation score.
From: Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy
The values are colour coded according to Wager51,52. Green; the values fall in more desirable range, red: the values fall in less desirable range, yellow: the values fall in-between the ranges. ClogP: calculated logarithm of partition coefficient of a compound between n-octanol and water, ClogD: calculated logarithm of distribution coefficient of a compound between n-octanol and water at pH 7.4, MW: molecular weight, tPSA: topological polar surface area, CNS MPO: central nervous system multiparameter optimisation.
