Molecule card · MolClass #42929
7977718
7977718: 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
- 7977718Mitochondrial Fusion · compound_name
- MolClass ID
- 42929
- InChIKey
- JMRKYWBFPGUVEA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N3CCN(C3(c2ccccc2))S(C)(=O)=O
- Standard InChI
- InChI=1S/C17H20N2O4S2/c1-14-8-10-16(11-9-14)25(22,23)19-13-12-18(24(2,20)21)17(19)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)N2CCNC2c3ccccc3
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
- 6
- 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
- 91.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.734
- 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 · 7977718