Diallyl trisulfide
Inhibitor information
- CovInDB Inhibitor
- CI000037
- Name
- Diallyl trisulfide
- Molecular Formula
- C6H10S3
- Molecular Weight
- 178.3 g/mol
- Structure
-
- IUPAC Name
- 3-(allyltrisulfanyl)prop-1-ene
- InChI
- InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
- InChI Key
- UBAXRAHSPKWNCX-UHFFFAOYSA-N
- Canonical SMILES
- C=CCSSSCC=C
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
178.3 g/mol
Computed by RDKit
- logP
-
2.74
Computed by ALOGPS
- logS
-
-3.36
Computed by ALOGPS
- Heavy Atom Count
-
9
Computed by RDKit
- Ring Count
-
0
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
0 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.