Molecule card · MolClass #42030
24806568
24806568: 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
- 24806568Mitochondrial Fusion · compound_name
- MolClass ID
- 42030
- InChIKey
- DNWVUTDCWOCQHG-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C=C(N1CCCCC1)C2(CCCCC2)O3
- Standard InChI
- InChI=1S/C14H21NO2/c16-13-11-12(15-9-5-2-6-10-15)14(17-13)7-3-1-4-8-14/h11H,1-10H2
- Stored Murcko scaffold
- O1[CH]C=C(N2CCCCC2)C13CCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.074
- 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 · 24806568