Molecule card · MolClass #35931
24812545
24812545: 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
- 24812545Mitochondrial Fusion · compound_name
- MolClass ID
- 35931
- InChIKey
- NWDCXUOLQCBMQO-UHFFFAOYSA-N
- Canonical SMILES
- C#CC[N+]2(C)(C1CCC2(CC(O)C1))
- Standard InChI
- InChI=1S/C11H18NO/c1-3-6-12(2)9-4-5-10(12)8-11(13)7-9/h1,9-11,13H,4-8H2,2H3/q+1
- Stored Murcko scaffold
- C1CC2CCC(C1)[NH2+]2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 180.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.554
- 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 · 24812545