fosaprepitant

Ligand id: 7623

Name: fosaprepitant

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 133.41
Molecular weight 615.12
XLogP 7.12
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Hale JJ, Mills SG, MacCoss M, Dorn CP, Finke PE, Budhu RJ, Reamer RA, Huskey SE, Luffer-Atlas D, Dean BJ et al.. (2000)
Phosphorylated morpholine acetal human neurokinin-1 receptor antagonists as water-soluble prodrugs.
J. Med. Chem.43 (6): 1234-41. [PMID:10737756]
2. Hornby PJ. (2001)
Central neurocircuitry associated with emesis.
Am. J. Med.111 Suppl 8A: 106S-112S. [PMID:11749934]