Structure of molecule 23750

Molecule card · MolClass #23750

ZINC11557391

ZINC11557391: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
ZINC11557391Metabolite Likeness · compound_name
MolClass ID
23750
InChIKey
OKEVTUMJFYFGSD-ODAVYXMRSA-N
Canonical SMILES
CC=CC(=O)OC(C)C(=O)N1NC(=O)CC1(C)
Standard InChI
InChI=1S/C11H16N2O4/c1-4-5-10(15)17-8(3)11(16)13-7(2)6-9(14)12-13/h4-5,7-8H,6H2,1-3H3,(H,12,14)/b5-4+/t7-,8+/m0/s1
Stored Murcko scaffold
[N]1N[CH]CC1

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
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
75.71 Ų
CDK 2.12 · 2026-08-19
Molecular weight
240.256 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.607
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.

  • Metabolite Likeness

    Dataset #15 · ZINC11557391