Molecule card · MolClass #35946
24818417
24818417: 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
- 24818417Mitochondrial Fusion · compound_name
- MolClass ID
- 35946
- InChIKey
- LWBLCNXAMSLQNW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2C(=O)CC(C)(C)Cc2(o1)
- Standard InChI
- InChI=1S/C11H14O2/c1-7-4-8-9(12)5-11(2,3)6-10(8)13-7/h4H,5-6H2,1-3H3
- Stored Murcko scaffold
- o1ccc2[CH]CCCc12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 178.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.211
- 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 · 24818417