Molecule card · MolClass #43589
14742246
14742246: 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
- 14742246Mitochondrial Fusion · compound_name
- MolClass ID
- 43589
- InChIKey
- UVWSSNNDUNEAHK-UHFFFAOYSA-N
- Canonical SMILES
- O=CC(Cl)P(=O)(N1CCCCC1)N2CCCCC2
- Standard InChI
- InChI=1S/C12H22ClN2O2P/c13-12(11-16)18(17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12H,1-10H2
- Stored Murcko scaffold
- P(N1CCCCC1)N2CCCCC2
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
- 4
- 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
- 50.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.742 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.408
- 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 · 14742246