Molecule card · MolClass #1348
Spiramycin
Spiramycin: 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
- SpiramycinFlucanozole Synergizer · compound_name
- MolClass ID
- 1348
- InChIKey
- Not recorded
- Canonical SMILES
- [*]OC4CC(=O)OC(C)CC=CC=CC(OC1CCC(C(C)O1)N(C)C)C(C)CC(CC=O)C(OC3OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C3(O))N(C)C)C4(OC)
- Standard InChI
- null
- Stored Murcko scaffold
- O1[CH]CCCC(OC2OCC(OC3OCCCC3)CC2)CCCC(OC4OCCCC4)C=CC=CCC1
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
- 16
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 184.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 842.046 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.48
- 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 · Spiramycin