2-(6-methoxy-2-naphthyl)cycloprop-2-en-1-one
Inhibitor information
- CovInDB Inhibitor
- CI007219
- Name
- 2-(6-methoxy-2-naphthyl)cycloprop-2-en-1-one
- Molecular Formula
- C14H10O2
- Molecular Weight
- 210.0680796 g/mol
- Structure
-
- IUPAC Name
- 2-(6-methoxy-2-naphthyl)cycloprop-2-en-1-one
- InChI
- InChI=1S/C14H10O2/c1-16-12-5-4-9-6-11(13-8-14(13)15)3-2-10(9)7-12/h2-8H,1H3
- InChI Key
- BEGYLSAAFQPMMU-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2cc(-c3cc3=O)ccc2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
210.0680796 g/mol
Computed by RDKit
- logP
-
2.97
Computed by ALOGPS
- logS
-
-4.39
Computed by ALOGPS
- Heavy Atom Count
-
16
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
26.3 Å2
Computed by RDKit
3D Structure
targets
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bioactivity
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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.