Molecule card · MolClass #51651
14733532
14733532: 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
- 14733532Mitochondrial Fusion · compound_name
- MolClass ID
- 51651
- InChIKey
- OBJJVDWZGCVDCO-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc(CCNS(=O)(=O)c1ccc(cc1)OC)cc2
- Standard InChI
- InChI=1S/C16H19NO4S/c1-20-14-5-3-13(4-6-14)11-12-17-22(18,19)16-9-7-15(21-2)8-10-16/h3-10,17H,11-12H2,1-2H3
- Stored Murcko scaffold
- S(NCCc1ccccc1)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.
- LOPAC 01249#1075
- 439647#9621
- 3522#21921
- 3529#21928
- 4100#22459
- 4207-4386#24704
- 24783580#34718
- [O-][N+](=O)c1ccc(CC(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)C(O)=O)cc1#154991
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.569
- 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 · 14733532