Molecule card · MolClass #41355
17510705
17510705: 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
- 17510705Mitochondrial Fusion · compound_name
- MolClass ID
- 41355
- InChIKey
- AFHPWODMQGXJFV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)OCC2OC3OC(C)(C)OC3(C2(O))
- Standard InChI
- InChI=1S/C16H20O6/c1-9-4-6-10(7-5-9)14(18)19-8-11-12(17)13-15(20-11)22-16(2,3)21-13/h4-7,11-13,15,17H,8H2,1-3H3
- Stored Murcko scaffold
- O([CH]c1ccccc1)CC2OC3OCOC3C2
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
- 6
- 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
- 74.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.995
- 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 · 17510705