Molecule card · MolClass #48182
14743294
14743294: 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
- 14743294Mitochondrial Fusion · compound_name
- MolClass ID
- 48182
- InChIKey
- WSNWPDSRWSLLFS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(O)c(c1)C=2CC(O)(NN=2)C(F)(F)F
- Standard InChI
- InChI=1S/C11H11F3N2O2/c1-6-2-3-9(17)7(4-6)8-5-10(18,16-15-8)11(12,13)14/h2-4,16-18H,5H2,1H3
- Stored Murcko scaffold
- N=1NCCC1c2ccccc2
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.
- 1922064#15554
- 3022817#18314
- OC1(CC(=NN1)c1ccccc1)C(F)(F)F#154644
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.213 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.32
- 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.
Mitochondrial Fusion
Dataset #19 · 14743294