Molecule card · MolClass #38698
17385894
17385894: 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
- 17385894Mitochondrial Fusion · compound_name
- MolClass ID
- 38698
- InChIKey
- DHXHVNJAKSCNJD-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)Nn2c(CCC(=O)O)ccc2(c1ccc(F)cc1)
- Standard InChI
- InChI=1S/C14H14FN3O3/c15-10-3-1-9(2-4-10)12-7-5-11(6-8-13(19)20)18(12)17-14(16)21/h1-5,7H,6,8H2,(H,19,20)(H3,16,17,21)
- Stored Murcko scaffold
- c1ccc(cc1)-c2ccc[nH]2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.9
- 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 · 17385894