Molecule card · MolClass #51572
14736286
14736286: 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
- 14736286Mitochondrial Fusion · compound_name
- MolClass ID
- 51572
- InChIKey
- QBQLXOZNXASOJI-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2(CC)
- Standard InChI
- InChI=1S/C16H18ClNO3S/c1-3-12-7-5-6-8-15(12)18-22(19,20)13-9-10-14(17)16(11-13)21-4-2/h5-11,18H,3-4H2,1-2H3
- Stored Murcko scaffold
- S(Nc1ccccc1)c2ccccc2
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.
View all molecules with this scaffold →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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.839 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.365
- 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 · 14736286