Molecule card · MolClass #46016
17385952
17385952: 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
- 17385952Mitochondrial Fusion · compound_name
- MolClass ID
- 46016
- InChIKey
- YYMKWYVBWDIMET-UHFFFAOYSA-N
- Canonical SMILES
- CCc3cc2c(O)nc(Cc1ccccc1)nc2s3
- Standard InChI
- InChI=1S/C15H14N2OS/c1-2-11-9-12-14(18)16-13(17-15(12)19-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17,18)
- Stored Murcko scaffold
- n1cc2ccsc2nc1Cc3ccccc3
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.
- 1253956#15487
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 74.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.863
- 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 · 17385952