Molecule card · MolClass #37328
14739249
14739249: 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
- 14739249Mitochondrial Fusion · compound_name
- MolClass ID
- 37328
- InChIKey
- SSDQHOMLUVVACD-VOTSOKGWSA-N
- Canonical SMILES
- COc2cccc(C=CC(=O)C1=C(O)C=C(C)OC1(=O))c2(O)
- Standard InChI
- InChI=1S/C16H14O6/c1-9-8-12(18)14(16(20)22-9)11(17)7-6-10-4-3-5-13(21-2)15(10)19/h3-8,18-19H,1-2H3/b7-6+
- Stored Murcko scaffold
- O1C=CC=C([CH]1)[CH]C=Cc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.987
- 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 · 14739249