Molecule card · MolClass #93004
AZM1025
AZM1025: 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
- MolClass ID
- 93004
- InChIKey
- VIFMKLYRCXCLCL-UHFFFAOYSA-N
- Canonical SMILES
- OC1CS(=O)(=O)CC1N2CCC(CC2)c3ccccc3
- Standard InChI
- InChI=1S/C15H21NO3S/c17-15-11-20(18,19)10-14(15)16-8-6-13(7-9-16)12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2
- Stored Murcko scaffold
- S1CCC(N2CCC(c3ccccc3)CC2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.212
- 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.
Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM1025