Molecule card · MolClass #41108
4246035
4246035: 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
- 4246035Mitochondrial Fusion · compound_name
- MolClass ID
- 41108
- InChIKey
- BGGSDGRUZZQZPR-UHFFFAOYSA-N
- Canonical SMILES
- O=S3(=O)(N=CN(Cc1cccc(F)c1)c2ccccc23)
- Standard InChI
- InChI=1S/C14H11FN2O2S/c15-12-5-3-4-11(8-12)9-17-10-16-20(18,19)14-7-2-1-6-13(14)17/h1-8,10H,9H2
- Stored Murcko scaffold
- N=1Sc2ccccc2N(C1)Cc3ccccc3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.255
- 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 · 4246035