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ASINEX-ZINC04487226

 MMsINC code: MMs00340839
Type: Neutral
Formula: C11H19NO6
SMILES:   O1CCN(CC1)C(CC(O)=O)C(OCCOC)=O
InChI:   InChI=1/C11H19NO6/c1-16-6-7-18-11(15)9(8-10(13)14)12-2-4-17-5-3-12/h9H,2-8H2,1H3,(H,13,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=81.3411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.274 g/mol  logS: -0.20848  SlogP: -0.6485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099462  Sterimol/B1: 3.71298  Sterimol/B2: 3.89711  Sterimol/B3: 4.47491
  Sterimol/B4: 5.56877  Sterimol/L: 13.8514 
 
 Surface and Volume Properties
  Accessible surface: 490.909  Positive charged surface: 409.221  Negative charged surface: 81.6875  Volume: 240.5
  Hydrophobic surface: 365.205  Hydrophilic surface: 125.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.