Molecule card · MolClass #38848
4246297
4246297: 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
- 4246297Mitochondrial Fusion · compound_name
- MolClass ID
- 38848
- InChIKey
- YDUZYYRXLIRTGX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N(c1ccccc1)P2(OCCO2)=S
- Standard InChI
- InChI=1S/C11H14NO4PS/c1-2-14-11(13)12(10-6-4-3-5-7-10)17(18)15-8-9-16-17/h3-7H,2,8-9H2,1H3
- Stored Murcko scaffold
- [N](c1ccccc1)P2OCCO2
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.
- 4251736#32264
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.043
- 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 · 4246297