[2-(2-adamantyl)-4-oxo-chromen-6-yl]sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002379
- Name
- [2-(2-adamantyl)-4-oxo-chromen-6-yl]sulfamate
- Molecular Formula
- C19H21NO5S
- Molecular Weight
- 375.11 g/mol
- Structure
-
- IUPAC Name
- [2-(2-adamantyl)-4-oxo-chromen-6-yl]sulfamate
- InChI
- InChI=1S/C19H21NO5S/c20-26(22,23)25-14-1-2-17-15(8-14)16(21)9-18(24-17)19-12-4-10-3-11(6-12)7-13(19)5-10/h1-2,8-13,19H,3-7H2,(H2,20,22,23)
- InChI Key
- IGDMTJIKWJHZGH-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc2oc(C3C4CC5CC(C4)CC3C5)cc(=O)c2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
375.11 g/mol
Computed by RDKit
- logP
-
3.38
Computed by ALOGPS
- logS
-
-5.16
Computed by ALOGPS
- Heavy Atom Count
-
26
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.