Molecule card · MolClass #48339
849558
849558: 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
- 849558Mitochondrial Fusion · compound_name
- MolClass ID
- 48339
- InChIKey
- SQEPXEYASAOAHF-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)N1CCN(CC1)CC3CC2C=CC3(C2)
- Standard InChI
- InChI=1S/C13H22N2O2S/c1-18(16,17)15-6-4-14(5-7-15)10-13-9-11-2-3-12(13)8-11/h2-3,11-13H,4-10H2,1H3
- Stored Murcko scaffold
- C1=CC2CC1CC2CN3CCNCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.328
- 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 · 849558