Molecule card · MolClass #48383
14744833
14744833: 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
- 14744833Mitochondrial Fusion · compound_name
- MolClass ID
- 48383
- InChIKey
- MUXBDEHEXHLDJR-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cn1)C(=O)NCCc2ccccc2
- Standard InChI
- InChI=1S/C14H14N2O2/c17-13-7-6-12(10-16-13)14(18)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NCCc2ccccc2
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.
- 851152#42727
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.365
- 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 · 14744833