(4-methyl-2-oxo-chromen-7-yl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002081
- Name
- (4-methyl-2-oxo-chromen-7-yl)sulfamate
- Molecular Formula
- C10H9NO5S
- Molecular Weight
- 255.02 g/mol
- Structure
-
- IUPAC Name
- (4-methyl-2-oxo-chromen-7-yl)sulfamate
- InChI
- InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
- InChI Key
- UFGBGFMPBMEVMI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(=O)oc2cc(OS(N)(=O)=O)ccc12
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
255.02 g/mol
Computed by RDKit
- logP
-
1.54
Computed by ALOGPS
- logS
-
-2.77
Computed by ALOGPS
- Heavy Atom Count
-
17
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
-
2
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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