Molecule card · MolClass #38850
14732836
14732836: 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
- 14732836Mitochondrial Fusion · compound_name
- MolClass ID
- 38850
- InChIKey
- MDESVXURCXTBGM-UXBLZVDNSA-N
- Canonical SMILES
- O=C3C(=Cc1cccc(F)c1)CSc2c3(ccs2)
- Standard InChI
- InChI=1S/C14H9FOS2/c15-11-3-1-2-9(7-11)6-10-8-18-14-12(13(10)16)4-5-17-14/h1-7H,8H2/b10-6+
- Stored Murcko scaffold
- s1ccc2[CH]C(=Cc3ccccc3)CSc12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.342
- 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 · 14732836