Molecule card · MolClass #46204
14735833
14735833: 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
- 14735833Mitochondrial Fusion · compound_name
- MolClass ID
- 46204
- InChIKey
- YWENETATHBSFCQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN1C(=O)CC(C1(=O))N2CCOCC2
- Standard InChI
- InChI=1S/C12H20N2O3/c1-2-3-4-14-11(15)9-10(12(14)16)13-5-7-17-8-6-13/h10H,2-9H2,1H3
- Stored Murcko scaffold
- [N]1[CH]CC([CH]1)N2CCOCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.08
- 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 · 14735833