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ENAMINE-ZINC04871241

 MMsINC code: MMs01561009
Type: Neutral
Formula: C11H17NO5
SMILES:   O1CCOC=C1C(OCC(=O)NCC(C)C)=O
InChI:   InChI=1/C11H17NO5/c1-8(2)5-12-10(13)7-17-11(14)9-6-15-3-4-16-9/h6,8H,3-5,7H2,1-2H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=47.5697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.259 g/mol  logS: -1.43071  SlogP: 0.19  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237297  Sterimol/B1: 2.34304  Sterimol/B2: 2.71361  Sterimol/B3: 3.39454
  Sterimol/B4: 4.83524  Sterimol/L: 16.9023 
 
 Surface and Volume Properties
  Accessible surface: 492.778  Positive charged surface: 352.455  Negative charged surface: 140.323  Volume: 230.25
  Hydrophobic surface: 339.556  Hydrophilic surface: 153.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.