S-OOPP   Click here for help

GtoPdb Ligand ID: 6493

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 55.4
Molecular weight 219.09
XLogP 1.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(NC1COC1=O)CCc1ccccc1
Isomeric SMILES O=C(N[C@H]1COC1=O)CCc1ccccc1
InChI InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1
InChI Key UUEMOTWYJKOUPP-JTQLQIEISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1214256
GtoPdb PubChem SID 178103107
PubChem CID 25227533
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