Molecule card · MolClass #51307
17386132
17386132: 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
- 17386132Mitochondrial Fusion · compound_name
- MolClass ID
- 51307
- InChIKey
- QBSQUMNFLQGRAU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C(=O)Oc2ccc(cc2)Sc3ccc(O)cc3
- Standard InChI
- InChI=1S/C20H16O3S/c1-14-4-2-3-5-19(14)20(22)23-16-8-12-18(13-9-16)24-17-10-6-15(21)7-11-17/h2-13,21H,1H3
- Stored Murcko scaffold
- O([CH]c1ccccc1)c2ccc(Sc3ccccc3)cc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.75
- 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 · 17386132