Molecule card · MolClass #48242
14734798
14734798: 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
- 14734798Mitochondrial Fusion · compound_name
- MolClass ID
- 48242
- InChIKey
- GNJDVXPUAFNLMH-UHFFFAOYSA-N
- Canonical SMILES
- CCOP(=O)(c1ccccc1)C2(O)(CCCCC2)
- Standard InChI
- InChI=1S/C14H21O3P/c1-2-17-18(16,13-9-5-3-6-10-13)14(15)11-7-4-8-12-14/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)PC2CCCCC2
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.
- 859104#45997
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.828
- 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 · 14734798