Molecule card · MolClass #37944
17507056
17507056: 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
- 17507056Mitochondrial Fusion · compound_name
- MolClass ID
- 37944
- InChIKey
- JSKKYIIBEYAWBH-UHFFFAOYSA-N
- Canonical SMILES
- C[N+]1(CCCC1)CC3COC2(CCCCC2)O3
- Standard InChI
- InChI=1S/C14H26NO2/c1-15(9-5-6-10-15)11-13-12-16-14(17-13)7-3-2-4-8-14/h13H,2-12H2,1H3/q+1
- Stored Murcko scaffold
- O1CC(OC12CCCCC2)C[NH+]3CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 18.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.784
- 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 · 17507056