Molecule card · MolClass #41939
14723540
14723540: 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
- 14723540Mitochondrial Fusion · compound_name
- MolClass ID
- 41939
- InChIKey
- MSOMYAAXIQYGOT-UHFFFAOYSA-N
- Canonical SMILES
- Oc2ccc3oc1CCCC(=O)c1c3(c2)
- Standard InChI
- InChI=1S/C12H10O3/c13-7-4-5-10-8(6-7)12-9(14)2-1-3-11(12)15-10/h4-6,13H,1-3H2
- Stored Murcko scaffold
- o1c2ccccc2c3[CH]CCCc13
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.
- 14731542#26437
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.206 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.811
- 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 · 14723540