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.