Molecule card · MolClass #52053
4262650
4262650: 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
- 4262650Mitochondrial Fusion · compound_name
- MolClass ID
- 52053
- InChIKey
- SMHFINNGHBJTOC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(C)cc1S(=O)(=O)Nc2ccc(F)cc2
- Standard InChI
- InChI=1S/C14H14FNO3S/c1-10-3-8-13(19-2)14(9-10)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3
- Stored Murcko scaffold
- S(Nc1ccccc1)c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.228
- 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 · 4262650