Molecule card · MolClass #45936
865904
865904: 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
- 865904Mitochondrial Fusion · compound_name
- MolClass ID
- 45936
- InChIKey
- QNFUQOMFJUBWIM-UHFFFAOYSA-N
- Canonical SMILES
- O=C1OCCC1S(=O)(=O)c2ccc3ccccc3(c2)
- Standard InChI
- InChI=1S/C14H12O4S/c15-14-13(7-8-18-14)19(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
- Stored Murcko scaffold
- O1[CH]C(Sc2ccc3ccccc3c2)CC1
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.265
- 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 · 865904