Molecule card · MolClass #1848
Fluocinonide
Fluocinonide: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
3 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- FluocinonideFlucanozole Synergizer · compound_name855724Antifungal Pump Inhibitors · compound_name855724Mitochondrial Fusion · compound_name
- MolClass ID
- 1848
- InChIKey
- WJOHZNCJWYWUJD-IUGZLZTKSA-N
- Canonical SMILES
- CC(=O)OCC(=O)C35(OC(C)(C)OC5(CC2C4CC(F)C1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))
- Standard InChI
- InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1
- Stored Murcko scaffold
- O1COC2C1CC3C2CCC4C5C=C[CH]C=C5CCC43
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.
- LOPAC 00729#175
- Flunisolide#1422
- Budesonide#1719
- FLUOCINONIDE#2218
- FLUNISOLIDE#2324
- 24867460#9412
- 3177453#11972
- 3060147#11978
- 103557069#25220
- 14728470#26395
- 855535#35573
- CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO#151963
- CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C#155043
- CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1#155771
- CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1#155805
- CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO#156180
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 99.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 494.526 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.893
- 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.
Flucanozole Synergizer
Dataset #3 · Fluocinonide
Antifungal Pump Inhibitors
Dataset #18 · 855724
Mitochondrial Fusion
Dataset #19 · 855724