Molecule card · MolClass #41863
14745838
14745838: 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
- 14745838Mitochondrial Fusion · compound_name
- MolClass ID
- 41863
- InChIKey
- BUBJJJMGHWCARG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(N)sc1CSCCc12
- Standard InChI
- InChI=1S/C10H13NO2S2/c1-2-13-10(12)8-6-3-4-14-5-7(6)15-9(8)11/h2-5,11H2,1H3
- Stored Murcko scaffold
- s1ccc2c1CSCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.631
- 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 · 14745838