Molecule card · MolClass #1715
Mimosine
Mimosine: 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
- MimosineFlucanozole Synergizer · compound_name
- MolClass ID
- 1715
- InChIKey
- WZNJWVWKTVETCG-YFKPBYRVSA-N
- Canonical SMILES
- NC(CN1C=CC(=O)C(O)=C1)C(=O)O
- Standard InChI
- InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
- Stored Murcko scaffold
- [CH]1C=CNC=C1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.176 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.372
- 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 · Mimosine