Molecule card · MolClass #13274
1918929
1918929: 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
- 13274
- InChIKey
- BILIOYSWAURUQG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN=C1CCCC1)C(=O)NN=C2CCCC2
- Standard InChI
- InChI=1S/C12H18N4O2/c17-11(15-13-9-5-1-2-6-9)12(18)16-14-10-7-3-4-8-10/h1-8H2,(H,15,17)(H,16,18)
- Stored Murcko scaffold
- N(N[CH][CH]NN=C1CCCC1)=C2CCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.292
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1918929