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CHEMBRIDGE-ZINC02872666

 MMsINC code: MMs00730613
Type: Neutral
Formula: C11H21NO3
SMILES:   O1CCCC1C(=O)NCCCOC(C)C
InChI:   InChI=1/C11H21NO3/c1-9(2)14-8-4-6-12-11(13)10-5-3-7-15-10/h9-10H,3-8H2,1-2H3,(H,12,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=33.5436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.45696  SlogP: 1.0967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349254  Sterimol/B1: 2.34435  Sterimol/B2: 2.89081  Sterimol/B3: 3.13452
  Sterimol/B4: 4.79406  Sterimol/L: 16.3579 
 
 Surface and Volume Properties
  Accessible surface: 492.875  Positive charged surface: 386.116  Negative charged surface: 106.759  Volume: 227.125
  Hydrophobic surface: 385.123  Hydrophilic surface: 107.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.