Molecule card · MolClass #35713
3714513
3714513: 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
- 3714513Mitochondrial Fusion · compound_name
- MolClass ID
- 35713
- InChIKey
- MOVJWQFOULOWMI-UHFFFAOYSA-N
- Canonical SMILES
- O=S1(=O)(CCN2C(=CSC2(=N1))c3ccco3)
- Standard InChI
- InChI=1S/C9H8N2O3S2/c12-16(13)5-3-11-7(6-15-9(11)10-16)8-2-1-4-14-8/h1-2,4,6H,3,5H2
- Stored Murcko scaffold
- N=1SCCN2C1SC=C2c3occc3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.488
- 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 · 3714513