Molecule card · MolClass #39893
14729754
14729754: 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
- 14729754Mitochondrial Fusion · compound_name
- MolClass ID
- 39893
- InChIKey
- ZUICNTPNCKEZPL-WEVVVXLNSA-N
- Canonical SMILES
- O=C3C(=Cc1ccc(F)c(F)c1)CSc2c3(ccs2)
- Standard InChI
- InChI=1S/C14H8F2OS2/c15-11-2-1-8(6-12(11)16)5-9-7-19-14-10(13(9)17)3-4-18-14/h1-6H,7H2/b9-5+
- 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
- 294.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.503
- 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 · 14729754