N-(4-Phenoxyphenyl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI000799
- Name
- N-(4-Phenoxyphenyl)prop-2-enamide
- Molecular Formula
- C15H13NO2
- Molecular Weight
- 239.27 g/mol
- Structure
-
- IUPAC Name
- N-(4-phenoxyphenyl)prop-2-enamide
- InChI
- InChI=1S/C15H13NO2/c1-2-15(17)16-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,17)
- InChI Key
- MEKQGWMFJFNYOY-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ccc(Oc2ccccc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
239.27 g/mol
Computed by RDKit
- logP
-
3.37
Computed by ALOGPS
- logS
-
-3.6
Computed by ALOGPS
- Heavy Atom Count
-
18
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
38.33 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.