Molecule card · MolClass #30451
14743399
14743399: 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
- 14743399Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 30451
- InChIKey
- CKRIHCSJQFWBEG-UHFFFAOYSA-N
- Canonical SMILES
- CCCCNS(=O)(=O)C1CCS(=O)(=O)C1
- Standard InChI
- InChI=1S/C8H17NO4S2/c1-2-3-5-9-15(12,13)8-4-6-14(10,11)7-8/h8-9H,2-7H2,1H3
- 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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.475
- 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 · 14743399