Molecule card · MolClass #52084
4258236
4258236: 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
- 4258236Mitochondrial Fusion · compound_name
- MolClass ID
- 52084
- InChIKey
- SBWHIHLNBYWVTN-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cn1)NS(=O)(=O)c4ccc3c(Cc2ccccc23)c4
- Standard InChI
- InChI=1S/C19H16N2O3S/c1-24-19-9-6-15(12-20-19)21-25(22,23)16-7-8-18-14(11-16)10-13-4-2-3-5-17(13)18/h2-9,11-12,21H,10H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)NSc2ccc3-c4ccccc4Cc3c2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 76.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.99
- 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 · 4258236