Molecule card · MolClass #48552
849900
849900: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 849900Mitochondrial Fusion · compound_name
- MolClass ID
- 48552
- InChIKey
- HLNJHBULKUZMGT-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCCC(C1)OC(=O)COc2ccccc2
- Standard InChI
- InChI=1S/C14H19NO3/c1-15-9-5-8-13(10-15)18-14(16)11-17-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
- Stored Murcko scaffold
- O([CH]COc1ccccc1)C2CNCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.036
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 849900