Molecule card · MolClass #44383
24813315
24813315: 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
- 24813315Mitochondrial Fusion · compound_name
- MolClass ID
- 44383
- InChIKey
- UZXUXPKSWBZLEE-ZRDIBKRKSA-N
- Canonical SMILES
- Cc1cc(C)c(c(O)n1)C(=O)C(C)=Cc2ccccc2
- Standard InChI
- InChI=1S/C17H17NO2/c1-11-9-13(3)18-17(20)15(11)16(19)12(2)10-14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,20)/b12-10+
- Stored Murcko scaffold
- n1cccc(c1)[CH]C=Cc2ccccc2
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.28
- 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 · 24813315