Molecule card · MolClass #48367
4255542
4255542: 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
- 4255542Mitochondrial Fusion · compound_name
- MolClass ID
- 48367
- InChIKey
- ZALNPEYMWWLORG-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)c1ccccc1)C2(C)(CCS(=O)(=O)C2)
- Standard InChI
- InChI=1S/C13H17NO3S/c1-13(8-9-18(16,17)10-13)14(2)12(15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
- Stored Murcko scaffold
- [N]([CH]c1ccccc1)C2CSCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.921
- 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 · 4255542