Molecule card · MolClass #37607
14741057
14741057: 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
- 14741057Mitochondrial Fusion · compound_name
- MolClass ID
- 37607
- InChIKey
- SKBULNHCEGPGGB-QXMHVHEDSA-N
- Canonical SMILES
- C=CCN2C1CS(=O)(=O)CC1SC2(=NC(=O)CC)
- Standard InChI
- InChI=1S/C11H16N2O3S2/c1-3-5-13-8-6-18(15,16)7-9(8)17-11(13)12-10(14)4-2/h3,8-9H,1,4-7H2,2H3/b12-11-
- Stored Murcko scaffold
- S1[CH]NC2CSCC12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 100.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.533
- 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 · 14741057