Molecule card · MolClass #48382
4247430
4247430: 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
- 4247430Mitochondrial Fusion · compound_name
- MolClass ID
- 48382
- InChIKey
- MMZPXYKMQBKGEX-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)S(=O)(=O)Cc2ccccc2Cl
- Standard InChI
- InChI=1S/C13H18ClNO2S/c1-11-6-8-15(9-7-11)18(16,17)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3
- Stored Murcko scaffold
- S(N1CCCCC1)Cc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.096
- 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 · 4247430