Talk:Lipinski's rule of five

Bioavailability

Total bioavailability is?

Citation

Why are there two citations to the Lipinski paper, one in 1997 and one in 2001? Zargulon 13:46, 21 October 2006 (UTC)[reply]

The 2001 reference is the correct one. JKW 20:22, 21 October 2006 (UTC)[reply]

Lead structure

Could someone define this, please? Also, a slightly wider focus would be useful. I.e., What is the context for these rules? How do they help in the process of drug discovery? Eperotao 22:04, 8 April 2007 (UTC)[reply]

Hydrogen bond donor definition

Hi, according to the Wiki page, hydrogen bond donors is defined as "hydrogen bond donors (nitrogen or oxygen atoms with one or more hydrogen atoms)".

I don't think this is the way Lipinski defined it in the 2001 paper. Here he looks at "...the number of NH bonds and OH bonds", so he count the number of hydrogens, not the number of heavy atoms. E.g.: NH2 would count for two hydrogen bond donors, not for one.

This is also evident in Table I, where he lists Glycine as having 3 H-bond donors, which fits with the three H's (either NH2 + COOH, or NH3+ + COO-). Famotidine is another example with 8 donors in Lipinski's table. Mhc (talk) 13:45, 14 May 2014 (UTC)[reply]

Thanks for your note. Yes, your analysis does appear to be correct. The key word in the 2001 paper is "bonds". For example a single -NH₂ group contains two N-H bonds and therefore would contribute +2 to the HBD count. Have a edited the text accordingly. Boghog (talk) 14:36, 14 May 2014 (UTC)[reply]

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Clog

It might be helpful for people new to Lipinski's rule to have a description of "Clog" on the page. It is an unusual and somewhat confusing notation. Could someone please add this information? 6.626X10^-34 (talk) 16:45, 26 September 2024 (UTC)[reply]