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. Author manuscript; available in PMC: 2014 May 23.
Published in final edited form as: J Med Chem. 2013 May 3;56(10):3820–3832. doi: 10.1021/jm400349k

Table 7.

Desirable ranges for CNS penetration and the MPO scoring for 23a.

Prop Targeted Value Properties of 23a MPO Score
cLogP ≤ 3 7.1 0
cLogD ≤ 2 7.1 0
TPSA 40 < X ≤ 90 59.5 1.00
MW ≤ 360 541 0
HBD ≤ 0.5 1 0.8
pKa ≤ 8 3.05 1.0
MPO score 2.8