Ligand id: 5524

Name: ASN06917370

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 104.18
Molecular weight 532.15
XLogP 5.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Eberini I, Daniele S, Parravicini C, Sensi C, Trincavelli ML, Martini C, Abbracchio MP. (2011)
In silico identification of new ligands for GPR17: a promising therapeutic target for neurodegenerative diseases.
J. Comput. Aided Mol. Des., 25 (8): 743-52. [PMID:21744154]