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. 2009 Oct 20;23(10):693–704. doi: 10.1007/s10822-009-9303-2

Table 1.

Calculations of octanol-water log P of different tautomers of viagra and phenobarbital

Compound Tautomer Structure Octanol-water log P Program
CLOGP [74] KowWin [75] ALOGP [31]
Viagra 1  Inline graphic 2.22 2.30 2.25
Viagra 2  Inline graphic 3.56 1.60 3.06
Viagra 3  Inline graphic 1.98 2.47 2.25
Phenobarbital 1  Inline graphic 1.36 1.33 1.32
Phenobarbital 2  Inline graphic 0.67 0.26 2.00
Phenobarbital 3  Inline graphic 0.67 0.93 2.00
Phenobarbital 4  Inline graphic 0.67 1.27 2.68
Phenobarbital 5  Inline graphic 0.67 1.27 2.68
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