Molecule card · MolClass #42783
24787069
24787069: 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
- 24787069Mitochondrial Fusion · compound_name
- MolClass ID
- 42783
- InChIKey
- LFWMTORGXHLWHR-UHFFFAOYSA-N
- Canonical SMILES
- O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NCC4CCCO4
- Standard InChI
- InChI=1S/C16H16N2O4S/c19-16-12-5-1-4-11-14(7-6-13(18-16)15(11)12)23(20,21)17-9-10-3-2-8-22-10/h1,4-7,10,17H,2-3,8-9H2,(H,18,19)
- Stored Murcko scaffold
- O1CCCC1CNSc2ccc3[nH]cc4cccc2c43
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.439
- 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 · 24787069