Please note that binding site 3 prediction is not included in the built in SVM model.
Calculated physicochemical properties:
Molecular Weight
=
259.340
logP
=
1.618
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index
=
1.000
number of carboxylic acids (aliphatic)
=
0
number of substituted benzene C(sp2)
=
3
Ligand Similarity:
In the following tables the similarities of the query compound to the original X-Ray compunds are presented. Similarity is calculated based on Tanimoto fingerprints. The value ranges from 0 to 1, with 1 being identical to the original X-Ray compound.