Molecule card · MolClass #40607
24820208
24820208: 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
- 24820208Mitochondrial Fusion · compound_name
- MolClass ID
- 40607
- InChIKey
- ICVZKMPHOSUDOP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)C(C(=O)O)N1CCS(=O)(=O)CC1
- Standard InChI
- InChI=1S/C10H19NO4S/c1-10(2,3)8(9(12)13)11-4-6-16(14,15)7-5-11/h8H,4-7H2,1-3H3,(H,12,13)
- Stored Murcko scaffold
- S1CCNCC1
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.
- 26541-51-5#6394
- 14729017#30977
- 24820736#31766
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 83.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.605
- 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 · 24820208