Molecule card · MolClass #51926
14718863
14718863: 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
- 14718863Mitochondrial Fusion · compound_name
- MolClass ID
- 51926
- InChIKey
- RNHHICBDWVELEF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3cc2ccc1ccccc1c2s3
- Standard InChI
- InChI=1S/C15H12O2S/c1-2-17-15(16)13-9-11-8-7-10-5-3-4-6-12(10)14(11)18-13/h3-9H,2H2,1H3
- Stored Murcko scaffold
- s1ccc2ccc3ccccc3c12
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
- 2
- 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
- 54.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.047
- 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 · 14718863