Molecule card · MolClass #25748
14739245
14739245: 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
- 14739245Antifungal Pump Inhibitors · compound_name14739245Mitochondrial Fusion · compound_name
- MolClass ID
- 25748
- InChIKey
- FFBYRGHYIUWOEL-UHFFFAOYSA-O
- Canonical SMILES
- CCOc1c(C)cc(cc1(C))c2[n+]cccc2(O)
- Standard InChI
- InChI=1S/C15H17NO2/c1-4-18-15-10(2)8-12(9-11(15)3)14-13(17)6-5-7-16-14/h5-9,17H,4H2,1-3H3/p+1
- Stored Murcko scaffold
- c1ccc(cc1)-c2cccc[nH+]2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.65
- 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 · 14739245
Mitochondrial Fusion
Dataset #19 · 14739245