Molecule card · MolClass #38963
14741914
14741914: 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
- 14741914Mitochondrial Fusion · compound_name
- MolClass ID
- 38963
- InChIKey
- LIEBBPJXOBHPRD-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1c(N)c(C(=O)NCC(C)(C)CN(C)C)c(C)s1
- Standard InChI
- InChI=1S/C16H27N3O3S/c1-7-22-15(21)13-12(17)11(10(2)23-13)14(20)18-8-16(3,4)9-19(5)6/h7-9,17H2,1-6H3,(H,18,20)
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.886
- 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 · 14741914