Molecule card · MolClass #26030
24816917
24816917: 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
- 24816917Antifungal Pump Inhibitors · compound_name24816917Mitochondrial Fusion · compound_name
- MolClass ID
- 26030
- InChIKey
- RPWHQXMROMNIFP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2ON1CCCCC1C2(O)C(F)(F)F
- Standard InChI
- InChI=1S/C11H16F3NO4/c1-2-18-9(16)8-10(17,11(12,13)14)7-5-3-4-6-15(7)19-8/h7-8,17H,2-6H2,1H3
- Stored Murcko scaffold
- O1N2CCCCC2CC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.866
- 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 · 24816917
Mitochondrial Fusion
Dataset #19 · 24816917