Molecule card · MolClass #35902
26719889
26719889: 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
- 26719889Mitochondrial Fusion · compound_name
- MolClass ID
- 35902
- InChIKey
- IBAQFPQHRJAVAV-ULAWRXDQSA-N
- Canonical SMILES
- OCCN1CC(O)C(O)C(O)C1(CO)
- Standard InChI
- InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
- Stored Murcko scaffold
- N1CCCCC1
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.
- LOPAC 00592#11
- LOPAC 00866#395
- LOPAC 00597#640
- LOPAC 01032#705
- LOPAC 00375#764
- LOPAC 01141#866
- LOPAC 00387#890
- LOPAC 00596#948
- (cis-) Nanophine#1831
- 100-75-4#2863
- 57541-73-8#3049
- 2226-96-2#3085
- 55556-85-9#3725
- 55556-93-9#4284
- 14691-88-4#4445
- 65445-61-6#4980
- 13603-07-1#5810
- 65445-60-5#5847
- 2564-83-2#6012
- 15104-03-7#6476
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 207.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.257
- 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 · 26719889