[4-oxo-2-(9-tricyclo[3.3.1.03,7]nonanyl)chromen-6-yl]sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002383
- Name
- [4-oxo-2-(9-tricyclo[3.3.1.03,7]nonanyl)chromen-6-yl]sulfamate
- Molecular Formula
- C18H19NO5S
- Molecular Weight
- 361.1 g/mol
- Structure
-
- IUPAC Name
- [4-oxo-2-(9-tricyclo[3.3.1.03,7]nonanyl)chromen-6-yl]sulfamate
- InChI
- InChI=1S/C18H19NO5S/c19-25(21,22)24-13-1-2-16-14(7-13)15(20)8-17(23-16)18-11-3-9-4-12(18)6-10(9)5-11/h1-2,7-12,18H,3-6H2,(H2,19,21,22)
- InChI Key
- WUMWHKGJYXXQJK-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc2oc(C3C4CC5CC3CC5C4)cc(=O)c2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
361.1 g/mol
Computed by RDKit
- logP
-
2.67
Computed by ALOGPS
- logS
-
-4.81
Computed by ALOGPS
- Heavy Atom Count
-
25
Computed by RDKit
- Ring Count
-
6
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
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.