Molecule card · MolClass #48560
14739639
14739639: 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
- 14739639Mitochondrial Fusion · compound_name
- MolClass ID
- 48560
- InChIKey
- MIQFBVNMSNEFFS-VAWYXSNFSA-N
- Canonical SMILES
- O=S(=O)(C=Cc1ccccc1)Oc2ccccc2
- Standard InChI
- InChI=1S/C14H12O3S/c15-18(16,17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
- Stored Murcko scaffold
- O(SC=Cc1ccccc1)c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.752
- 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 · 14739639