Molecule card · MolClass #42303
858078
858078: 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
- 858078Mitochondrial Fusion · compound_name
- MolClass ID
- 42303
- InChIKey
- OJSYQBBXPIPBGL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCN2C(=O)C(=C1CCCCCC1)SC2=S
- Standard InChI
- InChI=1S/C13H17NO3S2/c15-10(16)7-8-14-12(17)11(19-13(14)18)9-5-3-1-2-4-6-9/h1-8H2,(H,15,16)
- Stored Murcko scaffold
- [N]1[CH]SC([CH]1)=C2CCCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.412 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.597
- 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 · 858078