Molecule card · MolClass #51491
14740546
14740546: 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
- 14740546Mitochondrial Fusion · compound_name
- MolClass ID
- 51491
- InChIKey
- VYVDAYMGVDTUOF-UHFFFAOYSA-N
- Canonical SMILES
- COc2cc4c(cc2(NS(=O)(=O)N1CCCCC1))oc3ccccc34
- Standard InChI
- InChI=1S/C18H20N2O4S/c1-23-18-11-14-13-7-3-4-8-16(13)24-17(14)12-15(18)19-25(21,22)20-9-5-2-6-10-20/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3
- Stored Murcko scaffold
- o1c2ccccc2c3ccc(cc13)NSN4CCCCC4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.007
- 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 · 14740546