Molecule card · MolClass #37062
24783471
24783471: 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
- 24783471Mitochondrial Fusion · compound_name
- MolClass ID
- 37062
- InChIKey
- FPVINZFDZHCBKF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CC2(C)(OCC(C[N+]1(C)(CCCCC1))O2)
- Standard InChI
- InChI=1S/C15H28NO4/c1-4-18-14(17)10-15(2)19-12-13(20-15)11-16(3)8-6-5-7-9-16/h13H,4-12H2,1-3H3/q+1
- Stored Murcko scaffold
- O1COC(C1)C[NH+]2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.058
- 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 · 24783471