Molecule card · MolClass #9232
Ribavirin
Ribavirin: 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
- RibavirinBlood Brain Barrier · compound_name
- MolClass ID
- 9232
- InChIKey
- XAZIMCJWLQZWBM-UAKXSSHOSA-N
- Canonical SMILES
- NC(=O)c1cnn(n1)C2OC(CO)C(O)C2(O)
- Standard InChI
- InChI=1S/C8H12N4O5/c9-7(16)3-1-10-12(11-3)8-6(15)5(14)4(2-13)17-8/h1,4-6,8,13-15H,2H2,(H2,9,16)/t4-,5-,6-,8-/m1/s1
- Stored Murcko scaffold
- n1ccnn1C2OCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 143.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.205 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -3.029
- 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.
Blood Brain Barrier
Dataset #7 · Ribavirin