Molecule card · MolClass #46506
4262137
4262137: 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
- 4262137Mitochondrial Fusion · compound_name
- MolClass ID
- 46506
- InChIKey
- UGUVUDMRBPYWNO-UHFFFAOYSA-N
- Canonical SMILES
- O=S1(=O)(C=CC(C1)Nc2cccc(c2)Cl)
- Standard InChI
- InChI=1S/C10H10ClNO2S/c11-8-2-1-3-9(6-8)12-10-4-5-15(13,14)7-10/h1-6,10,12H,7H2
- Stored Murcko scaffold
- S1C=CC(Nc2ccccc2)C1
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.
- 14723945#43625
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.711 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.341
- 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 · 4262137