Supplementary Table 1 from Discovery of Potent and Brain-Penetrable Tubulin Inhibitors that Effectively Suppress Breast Cancer Brain Metastasis

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Abstract
Supplementary Table 1. The BBB score, which accounts for multiple structural properties of compounds to predict the likelihood of activity in the central nervous system, was calculated in the Schrodinger Modeling software using the equation described in (50): ∑T0 [Aro_R, HA, (1.5) MWHBN, 2 (TPSA), (0.5) pka].