Molecule card · MolClass #36282
3716234
3716234: 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
- 3716234Mitochondrial Fusion · compound_name
- MolClass ID
- 36282
- InChIKey
- YUXMECOUFJYJTQ-UHFFFAOYSA-N
- Canonical SMILES
- O=S3(=O)(NC1CCCCCN1c2ccc(F)cc23)
- Standard InChI
- InChI=1S/C12H15FN2O2S/c13-9-5-6-10-11(8-9)18(16,17)14-12-4-2-1-3-7-15(10)12/h5-6,8,12,14H,1-4,7H2
- Stored Murcko scaffold
- S1NC2N(c3ccccc13)CCCCC2
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.
- 49672519#26714
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.547
- 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 · 3716234