Molecule card · MolClass #36385
24837803
24837803: 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
- 24837803Mitochondrial Fusion · compound_name
- MolClass ID
- 36385
- InChIKey
- PHKOSLCCKOCYJP-ONEGZZNKSA-N
- Canonical SMILES
- COc1cc2CC(C)Oc2(cc1(C=CC(=O)O))
- Standard InChI
- InChI=1S/C13H14O4/c1-8-5-10-7-11(16-2)9(3-4-13(14)15)6-12(10)17-8/h3-4,6-8H,5H2,1-2H3,(H,14,15)/b4-3+
- Stored Murcko scaffold
- O1c2ccccc2CC1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.248 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.045
- 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 · 24837803