Molecule card · MolClass #27903
14743194
14743194: 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
- 14743194Antifungal Pump Inhibitors · compound_name14743194Mitochondrial Fusion · compound_name
- MolClass ID
- 27903
- InChIKey
- GQSNIXNCAIINJT-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C(C(C)=O)SC1=NN(C)C(=S)S1
- Standard InChI
- InChI=1S/C9H12N2O3S3/c1-4-14-7(13)6(5(2)12)16-8-10-11(3)9(15)17-8/h6H,4H2,1-3H3
- Stored Murcko scaffold
- n1ncsc1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 141.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.102
- 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 · 14743194
Mitochondrial Fusion
Dataset #19 · 14743194