Molecule card · MolClass #38723
4251834
4251834: 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
- 4251834Mitochondrial Fusion · compound_name
- MolClass ID
- 38723
- InChIKey
- XVFVMXHZBURBPL-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CCCN2(CN1CCCCC1)
- Standard InChI
- InChI=1S/C10H18N2O/c13-10-5-4-8-12(10)9-11-6-2-1-3-7-11/h1-9H2
- Stored Murcko scaffold
- [CH]1N(CN2CCCCC2)CCC1
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 182.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.684
- 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 · 4251834