Ligand id: 7664

Name: NC00075159

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 4
Topological polar surface area 118.24
Molecular weight 336.06
XLogP 1.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Li Q, Rottländer M, Xu M, Christoffersen CT, Frederiksen K, Wang MW, Jensen HS. (2011)
Identification of novel KCNQ4 openers by a high-throughput fluorescence-based thallium flux assay.
Anal. Biochem., 418 (1): 66-72. [PMID:21782781]