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PUBCHEM-ZINC06760854

 MMsINC code: MMs03854108
Type: Neutral
Formula: C11H21NO3
SMILES:   OC(C(C\C=C\C)(C)C)C(NC)C(O)=O
InChI:   InChI=1/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=80.3169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.09154  SlogP: 1.0123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13958  Sterimol/B1: 3.2824  Sterimol/B2: 3.93657  Sterimol/B3: 4.0441
  Sterimol/B4: 4.38179  Sterimol/L: 13.159 
 
 Surface and Volume Properties
  Accessible surface: 432.514  Positive charged surface: 298.921  Negative charged surface: 133.594  Volume: 224.125
  Hydrophobic surface: 266.88  Hydrophilic surface: 165.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.