Ligand id: 10351

Name: LUF7602

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 142.15
Molecular weight 531.16
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Yang X, van Veldhoven JPD, Offringa J, Kuiper BJ, Lenselink EB, Heitman LH, van der Es D, IJzerman AP. (2019)
Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor.
J. Med. Chem., 62 (7): 3539-3552. DOI: 10.1021/acs.jmedchem.8b02026 [PMID:30869893]