Molecule card · MolClass #36071
24782084
24782084: 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
- 24782084Mitochondrial Fusion · compound_name
- MolClass ID
- 36071
- InChIKey
- NBIYCWPWIWCOQU-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)NCC2OCCc1ccccc12
- Standard InChI
- InChI=1S/C13H15NO2/c1-2-13(15)14-9-12-11-6-4-3-5-10(11)7-8-16-12/h2-6,12H,1,7-9H2,(H,14,15)
- Stored Murcko scaffold
- O1Cc2ccccc2CC1
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
- 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
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.471
- 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 · 24782084