Molecule card · MolClass #36786
4265605
4265605: 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
- 4265605Mitochondrial Fusion · compound_name
- MolClass ID
- 36786
- InChIKey
- IACNASFEBFIQKL-UHFFFAOYSA-N
- Canonical SMILES
- CCC2=CC(=O)Oc3cc(C)c1c(C)coc1c23
- Standard InChI
- InChI=1S/C15H14O3/c1-4-10-6-12(16)18-11-5-8(2)13-9(3)7-17-15(13)14(10)11/h5-7H,4H2,1-3H3
- Stored Murcko scaffold
- O1[CH]C=Cc2c1ccc3ccoc32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.291
- 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 · 4265605