Molecule card · MolClass #40810
24782854
24782854: 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
- 24782854Mitochondrial Fusion · compound_name
- MolClass ID
- 40810
- InChIKey
- WAAWXHBKTWLHRM-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)OC3C1CCC3(C(CC1)N2CCCCC2)
- Standard InChI
- InChI=1S/C15H25NO2/c1-11(17)18-15-12-5-7-13(15)14(8-6-12)16-9-3-2-4-10-16/h12-15H,2-10H2,1H3
- Stored Murcko scaffold
- N1(CCCCC1)C2CCC3CCC2C3
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.
- 857984#27422
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.508
- 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 · 24782854