Molecule card · MolClass #52174
4243784
4243784: 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
- 4243784Mitochondrial Fusion · compound_name
- MolClass ID
- 52174
- InChIKey
- Not recorded
- Canonical SMILES
- CCOC(=O)C1CCN(CC1)S(=O)(=O)c2c(C)n[nH]c2(C)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc(SN2CCCCC2)c[nH]1
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.
- ZINC26414719#23637
- 24809994#44722
- 24809537#45918
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.77
- 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 · 4243784