Molecule card · MolClass #38783
7973903
7973903: 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
- 7973903Mitochondrial Fusion · compound_name
- MolClass ID
- 38783
- InChIKey
- OFGITLZWOFKLCU-UHFFFAOYSA-N
- Canonical SMILES
- O=S1(=O)(C=CC(C1)N2CCOCC2)
- Standard InChI
- InChI=1S/C8H13NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h1,6,8H,2-5,7H2
- Stored Murcko scaffold
- O1CCN(CC1)C2C=CSC2
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.26 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.286
- 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 · 7973903