Ligand id: 7457

Name: dutasteride

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 58.2
Molecular weight 528.22
XLogP 6.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Clark RV, Hermann DJ, Cunningham GR, Wilson TH, Morrill BB, Hobbs S. (2004)
Marked suppression of dihydrotestosterone in men with benign prostatic hyperplasia by dutasteride, a dual 5alpha-reductase inhibitor.
J. Clin. Endocrinol. Metab., 89 (5): 2179-84. [PMID:15126539]
2. No authors listed. (1989)
IUPAC-IUB Joint Commission on Biochemical Nomenclature (JCBN). The nomenclature of steroids. Recommendations 1989.
Eur. J. Biochem., 186 (3): 429-58. [PMID:2606099]