Molecule card · MolClass #36767
24785300
24785300: 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
- 24785300Mitochondrial Fusion · compound_name
- MolClass ID
- 36767
- InChIKey
- VMYRSGGUWPPCKY-UHFFFAOYSA-N
- Canonical SMILES
- CCC(CO)NC=1C=C(C)OC(=O)C=1(C(=O)CC)
- Standard InChI
- InChI=1S/C13H19NO4/c1-4-9(7-15)14-10-6-8(3)18-13(17)12(10)11(16)5-2/h6,9,14-15H,4-5,7H2,1-3H3
- Stored Murcko scaffold
- O1[CH]C=CC=C1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.211
- 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 · 24785300