Molecule card · MolClass #42602
4243751
4243751: 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
- 4243751Mitochondrial Fusion · compound_name
- MolClass ID
- 42602
- InChIKey
- QFKVFCYMISSPOT-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC(c1ccc2OCOc2(c1))C=4C(=O)CCCC=4(N3)
- Standard InChI
- InChI=1S/C16H15NO4/c18-12-3-1-2-11-16(12)10(7-15(19)17-11)9-4-5-13-14(6-9)21-8-20-13/h4-6,10H,1-3,7-8H2,(H,17,19)
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)C3C=4[CH]CCCC4N[CH]C3
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.
- 4245414#26615
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.451
- 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 · 4243751