(2-cyclohexylchroman-6-yl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002357
- Name
- (2-cyclohexylchroman-6-yl)sulfamate
- Molecular Formula
- C15H21NO4S
- Molecular Weight
- 311.12 g/mol
- Structure
-
- IUPAC Name
- (2-cyclohexylchroman-6-yl)sulfamate
- InChI
- InChI=1S/C15H21NO4S/c16-21(17,18)20-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h7,9-11,14H,1-6,8H2,(H2,16,17,18)
- InChI Key
- BRXDSFPURDLNJC-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc2c(c1)CCC(C1CCCCC1)O2
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
311.12 g/mol
Computed by RDKit
- logP
-
3.42
Computed by ALOGPS
- logS
-
-4.27
Computed by ALOGPS
- Heavy Atom Count
-
21
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
78.62 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
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.