Molecule card · MolClass #43916
16953305
16953305: 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
- 16953305Mitochondrial Fusion · compound_name
- MolClass ID
- 43916
- InChIKey
- TWUWEJUIZCFOJL-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Cc1ccccc1)N2CCCCC2
- Standard InChI
- InChI=1S/C12H17NO2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
- Stored Murcko scaffold
- S(N1CCCCC1)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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.966
- 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 · 16953305