Molecule card · MolClass #38589
3712427
3712427: 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
- 3712427Mitochondrial Fusion · compound_name
- MolClass ID
- 38589
- InChIKey
- OCOKSABXFHUARZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CCCCC3(OC(=O)C1=CC(=O)c2ccccc2(O1))
- Standard InChI
- InChI=1S/C16H14O5/c17-11-6-2-4-8-14(11)21-16(19)15-9-12(18)10-5-1-3-7-13(10)20-15/h1,3,5,7,9,14H,2,4,6,8H2
- Stored Murcko scaffold
- O([CH]C=1Oc2ccccc2[CH]C1)C3[CH]CCCC3
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
- 4
- 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
- 69.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.072
- 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 · 3712427