Molecule card · MolClass #1881
Dorzolamide hydrochloride
Dorzolamide hydrochloride: 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
- Dorzolamide hydrochlorideFlucanozole Synergizer · compound_name56463558Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 1881
- InChIKey
- IAVUPMFITXYVAF-XPUUQOCRSA-N
- Canonical SMILES
- CCNC2CC(C)S(=O)(=O)c1c2(cc(s1)S(N)(=O)=O)
- Standard InChI
- InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
- Stored Murcko scaffold
- s1ccc2c1SCCC2
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.
- 24817552#36034
- 24818653#36383
- Cl.CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O#155068
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 151.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.742
- 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.
Flucanozole Synergizer
Dataset #3 · Dorzolamide hydrochloride
Antifungal Pump Inhibitors
Dataset #18 · 56463558