Ligand id: 5429

Name: adapalene

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 46.53
Molecular weight 412.2
XLogP 8.57
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Charpentier B, Bernardon JM, Eustache J, Millois C, Martin B, Michel S, Shroot B. (1995)
Synthesis, structure-affinity relationships, and biological activities of ligands binding to retinoic acid receptor subtypes.
J. Med. Chem., 38 (26): 4993-5006. [PMID:8544175]