Molecule card · MolClass #43614
17386353
17386353: 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
- 17386353Mitochondrial Fusion · compound_name
- MolClass ID
- 43614
- InChIKey
- PWWDAQXLNOXURW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CC1C(=O)NC(N1S(=O)(=O)c2cc(C)ccc2(C))=S
- Standard InChI
- InChI=1S/C15H20N2O3S2/c1-9(2)7-12-14(18)16-15(21)17(12)22(19,20)13-8-10(3)5-6-11(13)4/h5-6,8-9,12H,7H2,1-4H3,(H,16,18,21)
- Stored Murcko scaffold
- S(c1ccccc1)N2[CH]N[CH]C2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.407
- 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 · 17386353