(4-phenylphenyl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002115
- Name
- (4-phenylphenyl)sulfamate
- Molecular Formula
- C12H11NO3S
- Molecular Weight
- 249.05 g/mol
- Structure
-
- IUPAC Name
- (4-phenylphenyl)sulfamate
- InChI
- InChI=1S/C12H11NO3S/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
- InChI Key
- LYMSPQZKBVKSAH-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc(-c2ccccc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
249.05 g/mol
Computed by RDKit
- logP
-
2.93
Computed by ALOGPS
- logS
-
-3.61
Computed by ALOGPS
- Heavy Atom Count
-
17
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
69.39 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 |
|---|
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.