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CHEMBRIDGE-ZINC04993845

 MMsINC code: MMs00823729
Type: Neutral
Formula: C11H19NO3
SMILES:   O1C(CN(CC1C)C(=O)C1OCCC1)C
InChI:   InChI=1/C11H19NO3/c1-8-6-12(7-9(2)15-8)11(13)10-4-3-5-14-10/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=72.0913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.29804  SlogP: 0.8012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189982  Sterimol/B1: 2.22897  Sterimol/B2: 2.89858  Sterimol/B3: 4.92731
  Sterimol/B4: 6.01879  Sterimol/L: 11.603 
 
 Surface and Volume Properties
  Accessible surface: 413.696  Positive charged surface: 314.299  Negative charged surface: 99.3975  Volume: 213.5
  Hydrophobic surface: 316.592  Hydrophilic surface: 97.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.