Molecule card · MolClass #46223
3711723
3711723: 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
- 3711723Mitochondrial Fusion · compound_name
- MolClass ID
- 46223
- InChIKey
- ZBYYITGKQLENSW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C1OC(C(=O)O)C2C1C(F)(F)C2(F)(F)
- Standard InChI
- InChI=1S/C8H6F4O5/c9-7(10)1-2(8(7,11)12)4(6(15)16)17-3(1)5(13)14/h1-4H,(H,13,14)(H,15,16)
- Stored Murcko scaffold
- O1CC2CCC2C1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.124 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.796
- 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 · 3711723