Molecule card · MolClass #32116
14732136
14732136: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14732136Antifungal Pump Inhibitors · compound_name14732136Mitochondrial Fusion · compound_name
- MolClass ID
- 32116
- InChIKey
- KCCLPFMBYNECMY-XBXARRHUSA-N
- Canonical SMILES
- Cc1cc(C=NO)c(SC)s1
- Standard InChI
- InChI=1S/C7H9NOS2/c1-5-3-6(4-8-9)7(10-2)11-5/h3-4,9H,1-2H3/b8-4+
- Stored Murcko scaffold
- s1cccc1
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 187.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.534
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 14732136
Mitochondrial Fusion
Dataset #19 · 14732136