Molecule card · MolClass #36665
851126
851126: 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
- 851126Mitochondrial Fusion · compound_name
- MolClass ID
- 36665
- InChIKey
- FPCFCMNSACXKRQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3Nc1ccccc1C23(OCCCO2)
- Standard InChI
- InChI=1S/C11H11NO3/c13-10-11(14-6-3-7-15-11)8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
- Stored Murcko scaffold
- O1CCCOC12[CH]Nc3ccccc32
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 205.21 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.497
- 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 · 851126