Molecule card · MolClass #36775
14728782
14728782: 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
- 14728782Mitochondrial Fusion · compound_name
- MolClass ID
- 36775
- InChIKey
- KKNQIKFFKQJXFR-IAQYHMDHSA-N
- Canonical SMILES
- COc1ccc(OC)c(c1)C2OCCC=CC2(C)
- Standard InChI
- InChI=1S/C15H20O3/c1-11-6-4-5-9-18-15(11)13-10-12(16-2)7-8-14(13)17-3/h4,6-8,10-11,15H,5,9H2,1-3H3/t11-,15-/m1/s1
- Stored Murcko scaffold
- O1CCC=CCC1c2ccccc2
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
- 1
- 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
- 27.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.662
- 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 · 14728782