Molecule card · MolClass #51958
7976436
7976436: 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
- 7976436Mitochondrial Fusion · compound_name
- MolClass ID
- 51958
- InChIKey
- CCCLIUYHOSIBKD-UHFFFAOYSA-N
- Canonical SMILES
- COc2cccc(OC)c2(OCCCCN1CCCC1)
- Standard InChI
- InChI=1S/C16H25NO3/c1-18-14-8-7-9-15(19-2)16(14)20-13-6-5-12-17-10-3-4-11-17/h7-9H,3-6,10-13H2,1-2H3
- Stored Murcko scaffold
- O(c1ccccc1)CCCCN2CCCC2
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.574
- 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 · 7976436