Molecule card · MolClass #38159
17411312
17411312: 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
- 17411312Mitochondrial Fusion · compound_name
- MolClass ID
- 38159
- InChIKey
- UCBXAOGBDJKMDJ-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ccccc1SCc3cc(cc2COCOc23)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H14N2O4S/c16-13-3-1-2-4-14(13)22-8-11-6-12(17(18)19)5-10-7-20-9-21-15(10)11/h1-6H,7-9,16H2
- Stored Murcko scaffold
- O1c2c(cccc2CSc3ccccc3)COC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.834
- 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 · 17411312