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NCID-ZINC01652068

 MMsINC code: MMs02291353
Type: Neutral
Formula: C11H21NO5
SMILES:   O(C(=O)C(N(CCO)C)CC(OCC)=O)CC
InChI:   InChI=1/C11H21NO5/c1-4-16-10(14)8-9(11(15)17-5-2)12(3)6-7-13/h9,13H,4-8H2,1-3H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=61.8521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.291 g/mol  logS: -0.63857  SlogP: -0.2046  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112665  Sterimol/B1: 2.50515  Sterimol/B2: 2.724  Sterimol/B3: 4.71701
  Sterimol/B4: 8.72367  Sterimol/L: 14.0651 
 
 Surface and Volume Properties
  Accessible surface: 501.859  Positive charged surface: 401.356  Negative charged surface: 100.504  Volume: 243.25
  Hydrophobic surface: 355.3  Hydrophilic surface: 146.559
 
 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.