Molecule card · MolClass #40711
14737249
14737249: 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
- 14737249Mitochondrial Fusion · compound_name
- MolClass ID
- 40711
- InChIKey
- JMMFWLZZEBGXTR-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc3c(c1)OC=2CCCC(=O)C=2C3C=4C(=O)CCCC=4(O)
- Standard InChI
- InChI=1S/C20H20O5/c1-24-11-8-9-12-17(10-11)25-16-7-3-6-15(23)20(16)18(12)19-13(21)4-2-5-14(19)22/h8-10,18,21H,2-7H2,1H3
- Stored Murcko scaffold
- O1c2ccccc2C(C=3[CH]CCCC3)C=4[CH]CCCC14
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
- 3
- 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
- 72.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.452
- 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 · 14737249