Molecule card · MolClass #39856
14736188
14736188: 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
- 14736188Mitochondrial Fusion · compound_name
- MolClass ID
- 39856
- InChIKey
- QKKWYBMHBXFAKU-UHFFFAOYSA-N
- Canonical SMILES
- OC=3N=C1N(CCCS1)C(=O)C=3(Cc2ccccc2)
- Standard InChI
- InChI=1S/C14H14N2O2S/c17-12-11(9-10-5-2-1-3-6-10)13(18)16-7-4-8-19-14(16)15-12/h1-3,5-6,17H,4,7-9H2
- Stored Murcko scaffold
- N=1C=C([CH]N2C1SCCC2)Cc3ccccc3
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.
- 7967783#28269
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.794
- 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 · 14736188