VeberFilter and PSA in JChem for Excel

Hi,

I am working with JChem for Excel 2007 (version 5.6) and I have a couple of questions.

First, I have found a chemical function called "JCVeberFilter". I would like to know what does this filter account for. Does it consider both the rotatable bonds and the polar surface area?

Second, I was wondering how the polar surface area is calculated in JChem. Is it calculated using the method published by Ertl (J Med Chem 2000, 43, 3714-3717)?

Thanks in advance.

 

Rosa.

Attila,

could you please respond to Rosa from chemistry perspective?

Thanks,

Viktor

Hi Rosa,

1. Yes, it does both. To be exact: polar surface area <= 140 Ų and rotatable bonds <=10

2. Yes, it uses that method.

Best regards,

Attila

Ok, thanks!

 

Rosa.