Molecule card · MolClass #26560
26669492
26669492: 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
- 26669492Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 26560
- InChIKey
- OALJNCLUFGXFRQ-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCSP(=O)(O1)Oc2ccccc2
- Standard InChI
- InChI=1S/C10H13O3PS/c1-9-7-8-15-14(11,12-9)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1)P2OCCCS2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.501
- 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 · 26669492