MArvinBeans version 3.3.3 and Molinspiration

User f564ccf382

16-10-2007 11:00:40

To whom it concerns,

I am using MarvinBeans version 3.3.3 to calculate logP among other things and I have noticed that the logP values I get are different to those obtained when I input the SMILES structure into the Molecule calculator on the Molinspiration website. I would be very grateful to receive an explanation of the difference.

Kind regards,

Miriam O'Riordan

ChemAxon e08c317633

17-10-2007 11:48:34

Hi Miriam,

We do not know the logP prediction software you have used on the Molinspiration website.

Do you have any problems with the logP values predicted by our software (logPPlugin - it is part of the MarvinBeans package)? Please report the problems if you have any.