4-(Dimethylamino)-1,2-naphthoquinone
Inhibitor information
- CovInDB Inhibitor
- CI000653
- Name
- 4-(Dimethylamino)-1,2-naphthoquinone
- Molecular Formula
- C12H11NO2
- Molecular Weight
- 201.22 g/mol
- Structure
-
- IUPAC Name
- 4-(dimethylamino)naphthalene-1,2-dione
- InChI
- InChI=1S/C12H11NO2/c1-13(2)10-7-11(14)12(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3
- InChI Key
- ALDVFHJWLPLJHT-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C1=CC(=O)C(=O)c2ccccc21
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
201.22 g/mol
Computed by RDKit
- logP
-
2
Computed by ALOGPS
- logS
-
-2.05
Computed by ALOGPS
- Heavy Atom Count
-
15
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
1
Computed by RDKit
- Topological Polar Surface Area
-
37.38 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.