Molecule card · MolClass #17264
2063008
2063008: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14746495Mitochondrial Fusion · compound_name
- MolClass ID
- 17264
- InChIKey
- LNSYCMJYJFCXAD-UHFFFAOYSA-N
- Canonical SMILES
- C=CCNS(=O)(=O)CC12(CCC(CC1(=O))C2(C)(C))
- Standard InChI
- InChI=1S/C13H21NO3S/c1-4-7-14-18(16,17)9-13-6-5-10(8-11(13)15)12(13,2)3/h4,10,14H,1,5-9H2,2-3H3
- Stored Murcko scaffold
- [CH]1CC2CCC1C2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.462
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2063008
Mitochondrial Fusion
Dataset #19 · 14746495