Molecule card · MolClass #46263
851772
851772: 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
- 851772Mitochondrial Fusion · compound_name
- MolClass ID
- 46263
- InChIKey
- SYXCGDBAJXDIOY-UHFFFAOYSA-N
- Canonical SMILES
- CCCN3c2cccc1cccc(c12)S3(=O)(=O)
- Standard InChI
- InChI=1S/C13H13NO2S/c1-2-9-14-11-7-3-5-10-6-4-8-12(13(10)11)17(14,15)16/h3-8H,2,9H2,1H3
- Stored Murcko scaffold
- S1Nc2cccc3cccc1c32
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.423
- 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 · 851772