Structure of molecule 2022

Molecule card · MolClass #2022

Ribavirin

Ribavirin: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

4 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
RibavirinFlucanozole Synergizer · compound_name
37542P.falciparum Sensitivity · compound_name
103619997Liver Toxcicity · compound_name
MolClass ID
2022
InChIKey
IWUCXVSUMQZMFG-AFCXAGJDSA-N
Canonical SMILES
NC(=O)c1ncn(n1)C2OC(CO)C(O)C2(O)
Standard InChI
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
Stored Murcko scaffold
n1cnn(c1)C2OCCC2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
8
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
-2.433
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 · Ribavirin

  • P.falciparum Sensitivity

    Dataset #8 · 37542

  • Auto-fluorescence Prediction

    Dataset #13 · 1380

  • Liver Toxcicity

    Dataset #17 · 103619997