Solubility:
-4.264 (log(S) in mol/L prediction using SolTranNet)
Blood Brain Barrier Permeability:
No (prediction using frontiersin.org)
Addictivity Prediction:
43.5% (prediction based on www.mdpi.com)
Similarities
The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to
our series of blog posts
to fully understand our approach and its limitations.
This information is for informational purposes only and should not be construed as medical advice.
Most structurally similar compounds. The percentage is a measure of how structurally similar those molecules are, which is often strongly correlated with their effects.
Similarities computed based on affinities of molecules with selected proteins docking site.
List of compounds which have the most similar docking sites affinities. The percentage is a measure of how similar the binding affinities of the molecules are, which should be a proxy to how similarly they interact with the brain.
List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions, but now using addictive data predicted by a Machine Learning model. In practive this one is slightly more reliable than the other approach. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
