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. Author manuscript; available in PMC: 2017 Sep 5.
Published in final edited form as: J Med Chem. 2009 Dec 10;52(23):7463–7472. doi: 10.1021/jm900756t

Table 2.

Calculated logP, tPSA, and logBB for 1, 3, and 8a–pa

compd logP tPSA logBB
1 1.57 121.65 −1.42
3 3.75 84.83 −0.55
8a 4.09 84.83 −0.49
8b 4.11 73.83 −0.33
8c 4.12 76.04 −0.36
8d 3.83 73.83 −0.37
8e 3.98 84.83 −0.51
8f 4.18 73.83 −0.32
8g 4.33 73.83 −0.30
8h 4.06 73.83 −0.34
8i 4.32 84.83 −0.46
8j 4.46 76.04 −0.31
8k 4.20 65.04 −0.19
8l 4.74 62.83 −0.07
8m 4.71 73.83 −0.24
8n 4.41 73.83 −0.28
8o 4.69 65.04 −0.11
8p 4.55 65.04 −0.13
a

logBB was calculated using eq 6 in ref 24.