[4-(2-phenylacetyl)phenyl]sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002219
- Name
- [4-(2-phenylacetyl)phenyl]sulfamate
- Molecular Formula
- C14H13NO4S
- Molecular Weight
- 291.06 g/mol
- Structure
-
- IUPAC Name
- [4-(2-phenylacetyl)phenyl]sulfamate
- InChI
- InChI=1S/C14H13NO4S/c15-20(17,18)19-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,17,18)
- InChI Key
- LAJCCBIGBSYJDP-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc(C(=O)Cc2ccccc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
291.06 g/mol
Computed by RDKit
- logP
-
2.65
Computed by ALOGPS
- logS
-
-4.03
Computed by ALOGPS
- Heavy Atom Count
-
20
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
86.46 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
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.