SCH 50911   Click here for help

GtoPdb Ligand ID: 1075

Synonyms: SCH-50911 | SCH50911
PDB Ligand
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 2
Rotatable bonds 2
Topological polar surface area 58.56
Molecular weight 173.11
XLogP -0.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC1OCC(NC1)(C)C
Isomeric SMILES OC(=O)C[C@@H]1OCC(NC1)(C)C
InChI InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChI Key SEYCKMQSPUVYEF-LURJTMIESA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel