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. Author manuscript; available in PMC: 2013 Sep 7.
Published in final edited form as: J Org Chem. 2012 Aug 10;77(17):7187–7211. doi: 10.1021/jo300974j

Table 3.

Calculated physicochemical properties

Property Mean value Range
Molecular weight 392 314–450
ALogP 2.06 −0.77–4.99
LogD 1.28 −0.93–4.65
TPSA 70.0 26.7–89.5
H-bond donors 1.15 1–2
H-bond acceptors 3.96 3–6
Rotatable bonds 5.37 3–8
Fsp3 0.47 0.25–0.72