Molecule card · MolClass #39099
853294
853294: 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
- 853294Mitochondrial Fusion · compound_name
- MolClass ID
- 39099
- InChIKey
- LLDQLRHLAFGGIZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Oc1nsnc1N2CCOCC2)N3CCOCC3
- Standard InChI
- InChI=1S/C11H16N4O4S/c16-11(15-3-7-18-8-4-15)19-10-9(12-20-13-10)14-1-5-17-6-2-14/h1-8H2
- Stored Murcko scaffold
- n1snc(c1O[CH]N2CCOCC2)N3CCOCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.287
- 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 · 853294