Molecule card · MolClass #42751
14733311
14733311: 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
- 14733311Mitochondrial Fusion · compound_name
- MolClass ID
- 42751
- InChIKey
- UJIQPZJUMZYWBJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)S(=O)(=O)Nc2ccc(C)c3CC(C)(C)Oc23
- Standard InChI
- InChI=1S/C18H21NO3S/c1-12-6-5-7-14(10-12)23(20,21)19-16-9-8-13(2)15-11-18(3,4)22-17(15)16/h5-10,19H,11H2,1-4H3
- Stored Murcko scaffold
- O1c2c(cccc2CC1)NSc3ccccc3
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.
- 14739887#45578
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
- 63.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.227
- 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 · 14733311