Molecule card · MolClass #37042
853163
853163: 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
- 853163Mitochondrial Fusion · compound_name
- MolClass ID
- 37042
- InChIKey
- MWXKPDIBMUGTFY-OVCLIPMQSA-N
- Canonical SMILES
- O=C3OC1(CCCCC1)OC(O)=C3(C=Nc2nccs2)
- Standard InChI
- InChI=1S/C13H14N2O4S/c16-10-9(8-15-12-14-6-7-20-12)11(17)19-13(18-10)4-2-1-3-5-13/h6-8,16H,1-5H2/b15-8+
- Stored Murcko scaffold
- n1ccsc1N=CC=2[CH]OC3(OC2)CCCCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.199
- 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 · 853163