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Topic Title: Bulk calculation of log P
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Created On: 4/2/2010 12:27 PM
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 4/2/2010 12:27 PM
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rguha

Posts: 9
Joined: 4/2/2010

Is there a way I can calculate log P using Chem Draw 12 for set of 10K molecules? Any pointers would be appreciated. If not in v12, any pointers to how to do it in v10 would be useful as well

Edited: 4/5/2010 at 8:48 AM by rguha
 4/5/2010 2:29 PM
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rguha

Posts: 9
Joined: 4/2/2010

The answer is to use the Excel functions
 9/6/2010 2:23 AM
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CS RNA

Posts: 667
Joined: 2/25/2009

Yes it is possible with ChemDraw for Excel (v12); you have to use the “CHEMPROPPRO_LOGP” function. Please note that Excel 2003 has 655536 row limit, so you have to use Excel 2007 (row limit is 1048576).

Also you need good processor and more RAM to perform this conversion.

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