Molecule card · MolClass #45821
24821821
24821821: 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
- 24821821Mitochondrial Fusion · compound_name
- MolClass ID
- 45821
- InChIKey
- OSJBBSMIHCPHSS-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)c3onc2ccc(cc23)C4OCCO4
- Standard InChI
- InChI=1S/C16H12FNO3/c17-12-4-1-10(2-5-12)15-13-9-11(16-19-7-8-20-16)3-6-14(13)18-21-15/h1-6,9,16H,7-8H2
- Stored Murcko scaffold
- n1oc(-c2ccccc2)c3cc(ccc13)C4OCCO4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.074
- 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 · 24821821