beta-Lapachone
Inhibitor information
- CovInDB Inhibitor
- CI000006
- Name
- beta-Lapachone
- Molecular Formula
- C15H14O3
- Molecular Weight
- 242.27
- Structure
-
- IUPAC Name
- 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
- InChI
- InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
- InChI Key
- QZPQTZZNNJUOLS-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Calculated Properties
- Molecular Weight
-
242.27
Computed by RDKit
- logP
-
2.82
Computed by ALOGPS
- logS
-
-3.63
Computed by ALOGPS
- Heavy Atom Count
-
18
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
0
Computed by RDKit
- Topological Polar Surface Area
-
43.37 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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