Molecule card · MolClass #39951
4252236
4252236: 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
- 4252236Mitochondrial Fusion · compound_name
- MolClass ID
- 39951
- InChIKey
- JGNMGJQGKHSIGN-UHFFFAOYSA-N
- Canonical SMILES
- CCSCCC(NC1=CC(=O)CC(C)(C)C1)C(=O)O
- Standard InChI
- InChI=1S/C14H23NO3S/c1-4-19-6-5-12(13(17)18)15-10-7-11(16)9-14(2,3)8-10/h7,12,15H,4-6,8-9H2,1-3H3,(H,17,18)
- Stored Murcko scaffold
- C1=CCCC[CH]1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.418
- 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 · 4252236