Molecule card · MolClass #37972
4263285
4263285: 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
- 4263285Mitochondrial Fusion · compound_name
- MolClass ID
- 37972
- InChIKey
- SMPZQRNDZKZJBV-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)C=1C(=O)OC(C)=CC=1(NC(C)C)
- Standard InChI
- InChI=1S/C13H19NO3/c1-5-6-11(15)12-10(14-8(2)3)7-9(4)17-13(12)16/h7-8,14H,5-6H2,1-4H3
- Stored Murcko scaffold
- O1[CH]C=CC=C1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.554
- 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 · 4263285