Molecule card · MolClass #1165
LOPAC 01299
LOPAC 01299: 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
- Zonisamide sodiumCompound induced Neuronal Stem Cell Differentiation · compound_name23696706P.falciparum Sensitivity · compound_name
- MolClass ID
- 1165
- InChIKey
- UBQNRHZMVUUOMG-UHFFFAOYSA-M
- Canonical SMILES
- N=S(=O)([O-])Cc1noc2ccccc12
- Standard InChI
- InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)/p-1
- Stored Murcko scaffold
- n1oc2ccccc2c1
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.
- Zonisamide#9243
- ZINC27412764#23576
- 26727296#28264
- 26727469#28700
- 17410541#28829
- 22414886#29073
- 22414027#36826
- [Na+].[O-]S(=N)(=O)Cc1noc2ccccc12#154108
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 211.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.208
- 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.
Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 1208
P.falciparum Sensitivity
Dataset #8 · 23696706