Molecule card · MolClass #42624
4243194
4243194: 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
- 4243194Mitochondrial Fusion · compound_name
- MolClass ID
- 42624
- InChIKey
- WUQSITXJGKXGFU-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2CCCO2
- Standard InChI
- InChI=1S/C14H26N2O4S/c1-2-9-21(18,19)16-7-3-5-12(11-16)14(17)15-10-13-6-4-8-20-13/h12-13H,2-11H2,1H3,(H,15,17)
- Stored Murcko scaffold
- O1CCCC1CN[CH]C2CNCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.432
- 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 · 4243194