Molecule card · MolClass #36220
3714669
3714669: 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
- 3714669Mitochondrial Fusion · compound_name
- MolClass ID
- 36220
- InChIKey
- BAAXAELLQUJESK-UHFFFAOYSA-N
- Canonical SMILES
- O=S3(=O)(CCN4c2ccc1CCCCc1c2SC4(=N3))
- Standard InChI
- InChI=1S/C13H14N2O2S2/c16-19(17)8-7-15-11-6-5-9-3-1-2-4-10(9)12(11)18-13(15)14-19/h5-6H,1-4,7-8H2
- Stored Murcko scaffold
- N=1SCCN2C1Sc3c2ccc4c3CCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.112
- 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 · 3714669