Molecule card · MolClass #32280
7974111
7974111: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7974111Antifungal Pump Inhibitors · compound_name7974111Mitochondrial Fusion · compound_name
- MolClass ID
- 32280
- InChIKey
- HTVSDNWXVHSLHV-UHFFFAOYSA-N
- Canonical SMILES
- CC1COC2C(O1)N(CCN2S(C)(=O)=O)S(C)(=O)=O
- Standard InChI
- InChI=1S/C9H18N2O6S2/c1-7-6-16-8-9(17-7)11(19(3,14)15)5-4-10(8)18(2,12)13/h7-9H,4-6H2,1-3H3
- Stored Murcko scaffold
- O1CCOC2NCCNC12
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.888
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 7974111
Mitochondrial Fusion
Dataset #19 · 7974111