Structure of molecule 15664

Molecule card · MolClass #15664

1205936

1205936: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID
15664
InChIKey
ZIHMRBKLDKEVJO-UHFFFAOYSA-N
Canonical SMILES
CCCC(=O)n2nc(CCC)c1C(=O)CC(C)(C)Cc12
Standard InChI
InChI=1S/C16H24N2O2/c1-5-7-11-15-12(9-16(3,4)10-13(15)19)18(17-11)14(20)8-6-2/h5-10H2,1-4H3
Stored Murcko scaffold
n1cc2[CH]CCCc2[nH]1

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
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
51.96 Ų
CDK 2.12 · 2026-08-19
Molecular weight
276.375 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.619
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.

  • Auto-fluorescence Prediction

    Dataset #13 · 1205936