Molecule card · MolClass #36294
3714475
3714475: 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
- 3714475Mitochondrial Fusion · compound_name
- MolClass ID
- 36294
- InChIKey
- OZDKVNRLGJATHE-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C3=C(c1ccccc1)N2CCS(=O)(=O)N=C2S3
- Standard InChI
- InChI=1S/C14H14N2O4S2/c1-2-20-13(17)12-11(10-6-4-3-5-7-10)16-8-9-22(18,19)15-14(16)21-12/h3-7H,2,8-9H2,1H3
- Stored Murcko scaffold
- N=1SCCN2C1SC=C2c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.772
- 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 · 3714475