Molecule card · MolClass #9238
Streptomycin
Streptomycin: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- StreptomycinBlood Brain Barrier · compound_name104234342Liver Toxcicity · compound_name
- MolClass ID
- 9238
- InChIKey
- UCSJYZPVAKXKNQ-ZCTIVXDHSA-N
- Canonical SMILES
- CNC3C(O)C(O)C(CO)OC3(OC1C(OC(C)C1(O)(C=O))OC2C(O)C(O)C(NC(N)=N)C(O)C2(NC(N)=N))
- Standard InChI
- InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
- Stored Murcko scaffold
- O1CCCCC1OC2CCOC2OC3CCCCC3
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
- 19
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 14
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 283.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 583.591 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -4.593
- 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 · Streptomycin
Liver Toxcicity
Dataset #17 · 104234342