Molecule card · MolClass #40870
24779557
24779557: 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
- 24779557Mitochondrial Fusion · compound_name
- MolClass ID
- 40870
- InChIKey
- YAEMOVTYSOVDLG-UHFFFAOYSA-N
- Canonical SMILES
- Oc2cc(c1cccc(F)c1)c3OC(=O)Sc3(c2)
- Standard InChI
- InChI=1S/C13H7FO3S/c14-8-3-1-2-7(4-8)10-5-9(15)6-11-12(10)17-13(16)18-11/h1-6,15H
- Stored Murcko scaffold
- O1[CH]Sc2cccc(-c3ccccc3)c12
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.449
- 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 · 24779557