Molecule card · MolClass #47908
14733703
14733703: 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
- 14733703Mitochondrial Fusion · compound_name
- MolClass ID
- 47908
- InChIKey
- PNGQTXVIJWWKOS-POHAHGRESA-N
- Canonical SMILES
- CCCSC3=NC(=Cc1ccc2OCOc2(c1))C(=O)S3
- Standard InChI
- InChI=1S/C14H13NO3S2/c1-2-5-19-14-15-10(13(16)20-14)6-9-3-4-11-12(7-9)18-8-17-11/h3-4,6-7H,2,5,8H2,1H3/b10-6-
- Stored Murcko scaffold
- N1=CS[CH]C1=Cc2ccc3OCOc3c2
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
- 2
- 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
- 98.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.759
- 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 · 14733703