Molecule card · MolClass #47758
17509502
17509502: 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
- 17509502Mitochondrial Fusion · compound_name
- MolClass ID
- 47758
- InChIKey
- SNRPPFILNMMISN-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3cc1ccsc1n3(Cc2ccccc2(F))
- Standard InChI
- InChI=1S/C15H12FNO2S/c1-19-15(18)13-8-10-6-7-20-14(10)17(13)9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
- Stored Murcko scaffold
- s1ccc2ccn(c12)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.
- 3042041#16382
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.646
- 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 · 17509502