Molecule card · MolClass #1710
Metixene hydrochloride
Metixene hydrochloride: 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
- Metixene hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1710
- InChIKey
- MJFJKKXQDNNUJF-UHFFFAOYSA-N
- Canonical SMILES
- CN4CCCC(CC2c1ccccc1Sc3ccccc23)C4
- Standard InChI
- InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
- Stored Murcko scaffold
- S1c2ccccc2C(c3ccccc13)CC4CNCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.47 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.69
- 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 · Metixene hydrochloride