Molecule card · MolClass #35910
855810
855810: 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
- 855810Mitochondrial Fusion · compound_name
- MolClass ID
- 35910
- InChIKey
- KQNZDYYTLMIZCT-GZQRUAOLSA-N
- Canonical SMILES
- CC1CCCC=CC2CC(O)CC2(C(O)C=CC(=O)O1)
- Standard InChI
- InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12?,13-,14?,15+/m0/s1
- Stored Murcko scaffold
- O1[CH]C=CCC2CCCC2C=CCCCC1
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.
- LOPAC 00739#927
- 11957469#9490
- 3104702#11831
- 14736914#25662
- CC1CCCC=CC2CC(O)CC2(O)CC=CC(=O)O1#151991
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.363
- 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 · 855810