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ENAMINE-ZINC04871235

 MMsINC code: MMs01561003
Type: Neutral
Formula: C11H17NO5
SMILES:   O1CCOC=C1C(OCC(=O)NC(CC)C)=O
InChI:   InChI=1/C11H17NO5/c1-3-8(2)12-10(13)7-17-11(14)9-6-15-4-5-16-9/h6,8H,3-5,7H2,1-2H3,(H,12,13)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=46.3149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.259 g/mol  logS: -1.55615  SlogP: 0.3325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534017  Sterimol/B1: 2.09124  Sterimol/B2: 2.5176  Sterimol/B3: 4.29973
  Sterimol/B4: 5.52262  Sterimol/L: 15.5654 
 
 Surface and Volume Properties
  Accessible surface: 489.364  Positive charged surface: 345.749  Negative charged surface: 143.616  Volume: 227.625
  Hydrophobic surface: 343.342  Hydrophilic surface: 146.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.