Molecule card · MolClass #42247
14745122
14745122: 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
- 14745122Mitochondrial Fusion · compound_name
- MolClass ID
- 42247
- InChIKey
- GKLWAXSCOVOGHR-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc3c(c1)c2ccccc2S(=O)(=O)N3(C)
- Standard InChI
- InChI=1S/C14H13NO3S/c1-15-13-8-7-10(18-2)9-12(13)11-5-3-4-6-14(11)19(15,16)17/h3-9H,1-2H3
- Stored Murcko scaffold
- S1Nc2ccccc2-c3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.231
- 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 · 14745122