Zifrosilone
Inhibitor information
- CovInDB Inhibitor
- CI000045
- Name
- Zifrosilone
- Molecular Formula
- C11H13F3OSi
- Molecular Weight
- 246.3 g/mol
- Structure
-
- IUPAC Name
- 2,2,2-trifluoro-1-(3-trimethylsilylphenyl)ethanone
- InChI
- InChI=1S/C11H13F3OSi/c1-16(2,3)9-6-4-5-8(7-9)10(15)11(12,13)14/h4-7H,1-3H3
- InChI Key
- GAPOASFZXBWUGS-UHFFFAOYSA-N
- Canonical SMILES
- C[Si](C)(C)c1cccc(C(=O)C(F)(F)F)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
246.3 g/mol
Computed by RDKit
- logP
-
3.66
Computed by ALOGPS
- logS
-
-4.74
Computed by ALOGPS
- Heavy Atom Count
-
16
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
17.07 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.