COMPUTED DESCRIPTORS
| Molecular Weight | 896.0 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 16 |
| Exact Mass | 895.34489128 g/mol |
| Monoisotopic Mass | 895.34489128 g/mol |
| Topological Polar Surface Area | 259 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1840 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Simotaxel is under investigation in clinical trial NCT00088647 (Study Evaluating MST-997 in Advanced Malignant Solid Tumors).