Molecule card · MolClass #43399
4243009
4243009: 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
- 4243009Mitochondrial Fusion · compound_name
- MolClass ID
- 43399
- InChIKey
- KOWQULDTZZWUQW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C2CCC(=O)N2(C1CCCC1)
- Standard InChI
- InChI=1S/C10H15NO3/c12-9-6-5-8(10(13)14)11(9)7-3-1-2-4-7/h7-8H,1-6H2,(H,13,14)
- Stored Murcko scaffold
- [CH]1N(CCC1)C2CCCC2
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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 197.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.574
- 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 · 4243009