Molecule card · MolClass #37142
14742367
14742367: 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
- 14742367Mitochondrial Fusion · compound_name
- MolClass ID
- 37142
- InChIKey
- MOUHHDAGMSAVOR-UHFFFAOYSA-N
- Canonical SMILES
- COC1=CC(=O)N2CCCSC2(=N1)
- Standard InChI
- InChI=1S/C8H10N2O2S/c1-12-6-5-7(11)10-3-2-4-13-8(10)9-6/h5H,2-4H2,1H3
- Stored Murcko scaffold
- N=1C=C[CH]N2C1SCCC2
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.
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
- 67.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.405
- 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 · 14742367