(2-nonyl-4-oxo-chromen-6-yl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002361
- Name
- (2-nonyl-4-oxo-chromen-6-yl)sulfamate
- Molecular Formula
- C18H25NO5S
- Molecular Weight
- 367.15 g/mol
- Structure
-
- IUPAC Name
- (2-nonyl-4-oxo-chromen-6-yl)sulfamate
- InChI
- InChI=1S/C18H25NO5S/c1-2-3-4-5-6-7-8-9-14-13-17(20)16-12-15(24-25(19,21)22)10-11-18(16)23-14/h10-13H,2-9H2,1H3,(H2,19,21,22)
- InChI Key
- ATSLCAISNROVSQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCCCc1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
367.15 g/mol
Computed by RDKit
- logP
-
4.43
Computed by ALOGPS
- logS
-
-5.21
Computed by ALOGPS
- Heavy Atom Count
-
25
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
10
Computed by RDKit
- Topological Polar Surface Area
-
99.6 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.