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. 2012 Mar 15;8(3):e1002397. doi: 10.1371/journal.pcbi.1002397

Table 2. To demonstrate the diversity of the compounds generated, fifty azides and fifty alkynes were selected at random and reacted in silico using AutoClickChem.

Molecular Weight Number of Atoms logP PSA MR
Minimum 395.5 41 0.9 69.0 103.3
Maximum 593.6 92 6.5 219.0 168.8
Mean ± Stan. Dev. 502.8±29.2 74.6±9.6 3.8±1.1 117.0±23.5 146.4±13.5

“logP” refers to the estimated partition coefficient, “PSA” refers to the polar surface area, and “MR” refers to the molar refractivity.