(4-pentanoylphenyl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002218
- Name
- (4-pentanoylphenyl)sulfamate
- Molecular Formula
- C11H15NO4S
- Molecular Weight
- 257.07 g/mol
- Structure
-
- IUPAC Name
- (4-pentanoylphenyl)sulfamate
- InChI
- InChI=1S/C11H15NO4S/c1-2-3-4-11(13)9-5-7-10(8-6-9)16-17(12,14)15/h5-8H,2-4H2,1H3,(H2,12,14,15)
- InChI Key
- SRJNCHWJUFOVPL-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(=O)c1ccc(OS(N)(=O)=O)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
257.07 g/mol
Computed by RDKit
- logP
-
2.55
Computed by ALOGPS
- logS
-
-3.28
Computed by ALOGPS
- Heavy Atom Count
-
17
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
6
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 |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.