Molecule card · MolClass #4195

34592-47-7

34592-47-7: 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

MolClass ID: 4195
InChIKey: DZLNHFMRPBPULJ-UHFFFAOYSA-N
Canonical SMILES: OC(=O)C1CSCN1
Standard InChI: InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
Stored Murcko scaffold: S1CNCC1

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.

504-78-9#2597
92134-97-9#3606
NOCAS_M208#4104
73870-33-4#4296
NOCAS_M278#4632
92134-94-6#6653
92134-95-7#6845
88381-44-6#7070
34592-47-7#7999
17411340#26653
17507016#35639
16952885#35871
851838#35894

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 74.63 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 133.17 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.288; 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.

Toxicity Benchmark
Dataset #5 · 34592-47-7