Molecule card · MolClass #36389
24817485
24817485: 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
- 24817485Mitochondrial Fusion · compound_name
- MolClass ID
- 36389
- InChIKey
- UMKMFAFMYLQIMR-RMKNXTFCSA-N
- Canonical SMILES
- [O-][n+]1ccccc1SCC=Cc2ccccc2
- Standard InChI
- InChI=1S/C14H13NOS/c16-15-11-5-4-10-14(15)17-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
- Stored Murcko scaffold
- S(c1cccc[nH+]1)CC=Cc2ccccc2
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
- 0
- 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
- 52.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.213
- 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 · 24817485