Molecule card · MolClass #42342
3716803
3716803: 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
- 3716803Mitochondrial Fusion · compound_name
- MolClass ID
- 42342
- InChIKey
- VWGSDBZZSMXQEZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C(C(C)=O)=C2SC1CS(=O)(=O)CC1S2
- Standard InChI
- InChI=1S/C11H14O5S3/c1-3-16-10(13)9(6(2)12)11-17-7-4-19(14,15)5-8(7)18-11/h7-8H,3-5H2,1-2H3
- Stored Murcko scaffold
- S1CC2S[CH]SC2C1
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
- 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
- 136.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.475
- 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 · 3716803