Molecule card · MolClass #46123
850858
850858: 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
- 850858Mitochondrial Fusion · compound_name
- MolClass ID
- 46123
- InChIKey
- CXXKLSGXAQMAGZ-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ccc2NS(=O)(=O)c3ccccc3(c2(c1))
- Standard InChI
- InChI=1S/C12H10N2O2S/c13-8-5-6-11-10(7-8)9-3-1-2-4-12(9)17(15,16)14-11/h1-7,14H,13H2
- Stored Murcko scaffold
- S1Nc2ccccc2-c3ccccc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.816
- 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 · 850858