compound D24 [PMID: 24374347]

Ligand id: 8834

Name: compound D24 [PMID: 24374347]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.28
Molecular weight 344.15
XLogP 6.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Deng X, Lin F, Zhang Y, Li Y, Zhou L, Lou B, Li Y, Dong J, Ding T, Jiang X et al.. (2014)
Identification of small molecule sphingomyelin synthase inhibitors.
Eur J Med Chem, 73: 1-7. [PMID:24374347]