Molecule card · MolClass #46965
849406
849406: 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
- 849406Mitochondrial Fusion · compound_name
- MolClass ID
- 46965
- InChIKey
- SWXUBSGSRROERZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC1CC2CCCC(C1)N2
- Standard InChI
- InChI=1S/C10H18N2O/c1-7(13)11-10-5-8-3-2-4-9(6-10)12-8/h8-10,12H,2-6H2,1H3,(H,11,13)
- Stored Murcko scaffold
- N1C2CCCC1CCC2
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.
- 851959#32766
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 182.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.805
- 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 · 849406