Molecule card · MolClass #44266
14726528
14726528: 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
- 14726528Mitochondrial Fusion · compound_name
- MolClass ID
- 44266
- InChIKey
- SNEPMRMWHXCLPC-UHFFFAOYSA-N
- Canonical SMILES
- OC1CS(=O)(=O)CC1N2CCCCC2
- Standard InChI
- InChI=1S/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2
- Stored Murcko scaffold
- S1CCC(N2CCCCC2)C1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.303 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.168
- 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 · 14726528