Molecule card · MolClass #49666
24789162
24789162: 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
- 24789162Mitochondrial Fusion · compound_name
- MolClass ID
- 49666
- InChIKey
- MZHMVWMBMDXKDS-SAPNQHFASA-N
- Canonical SMILES
- COc2ccc3CCCC(=NOC(=O)c1cccs1)c3(c2)
- Standard InChI
- InChI=1S/C16H15NO3S/c1-19-12-8-7-11-4-2-5-14(13(11)10-12)17-20-16(18)15-6-3-9-21-15/h3,6-10H,2,4-5H2,1H3/b17-14+
- Stored Murcko scaffold
- N(O[CH]c1sccc1)=C2c3ccccc3CCC2
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
- 1
- 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
- 76.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.546
- 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 · 24789162