Molecule card · MolClass #43779
4246352
4246352: 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
- 4246352Mitochondrial Fusion · compound_name
- MolClass ID
- 43779
- InChIKey
- BHNWNFVBUKSDKL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CSC1=C(SCC(=O)O)SC(=S)S1
- Standard InChI
- InChI=1S/C7H6O4S5/c8-3(9)1-13-5-6(14-2-4(10)11)16-7(12)15-5/h1-2H2,(H,8,9)(H,10,11)
- Stored Murcko scaffold
- S1[CH]SC=C1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 207.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.312
- 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 · 4246352