Molecule card · MolClass #37630
4264388
4264388: 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
- 4264388Mitochondrial Fusion · compound_name
- MolClass ID
- 37630
- InChIKey
- GOVCMCBRRHXKQX-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC=2C(=O)Oc3c(C)c(O)ccc3(C=2(C1))
- Standard InChI
- InChI=1S/C15H16O3/c1-8-3-4-11-12(7-8)10-5-6-13(16)9(2)14(10)18-15(11)17/h5-6,8,16H,3-4,7H2,1-2H3
- Stored Murcko scaffold
- O1[CH]C2=C(c3ccccc13)CCCC2
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.
- 1585206#10496
- 1373454#17819
- 4986-1589#24730
- CCCCCCc1cc(O)c2C3CC(C)CCC=3C(=O)Oc2c1#150902
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.263
- 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 · 4264388