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Summary of Calculated Physiochemical Properties for Compounds 12, 15, and JDTic
| compd | TPSA | cLogP | log BBa | CNS MPO | MW |
|---|---|---|---|---|---|
| JDTic | 84.83 | 3.60 | −0.57 | 3.1 | 465.6 |
| 12 | 64.60 | 2.32 | −0.46 | 4.5 | 359.5 |
| 15 | 64.60 | 2.49 | −0.44 | 4.1 | 373.5 |
Equation 6 from ref 29. [log BB = −0.0148 × TPSA + 0.152 × log P + 0.139] was used for calculations of log BB values.
