Molecule card · MolClass #43672
17411260
17411260: 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
- 17411260Mitochondrial Fusion · compound_name
- MolClass ID
- 43672
- InChIKey
- VOBBHULYUCVFAR-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1cc2C(=O)CC(NC(=O)C(F)(F)F)c2(cc1(OC))
- Standard InChI
- InChI=1S/C14H14F3NO4/c1-3-22-12-5-8-7(4-11(12)21-2)9(6-10(8)19)18-13(20)14(15,16)17/h4-5,9H,3,6H2,1-2H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]CC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.704
- 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 · 17411260