Molecule card · MolClass #52265
3714484
3714484: 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
- 3714484Mitochondrial Fusion · compound_name
- MolClass ID
- 52265
- InChIKey
- OCNOLNMRHMUDHF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c(C)c1)S(=O)(=O)Nc2ccc3OC(=O)Sc3(c2)
- Standard InChI
- InChI=1S/C15H13NO4S2/c1-9-3-6-14(10(2)7-9)22(18,19)16-11-4-5-12-13(8-11)21-15(17)20-12/h3-8,16H,1-2H3
- Stored Murcko scaffold
- O1[CH]Sc2cc(ccc12)NSc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.11
- 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 · 3714484