Molecule card · MolClass #39588
3713932
3713932: 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
- 3713932Mitochondrial Fusion · compound_name
- MolClass ID
- 39588
- InChIKey
- BSVGMWCIZDSTDJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CSC(c1cccs1)N2c3ccccc3
- Standard InChI
- InChI=1S/C13H11NOS2/c15-12-9-17-13(11-7-4-8-16-11)14(12)10-5-2-1-3-6-10/h1-8,13H,9H2
- Stored Murcko scaffold
- s1cccc1C2SC[CH]N2c3ccccc3
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.
- 859506#42248
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.168
- 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 · 3713932