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PUBCHEM-ZINC05112532

 MMsINC code: MMs03200969
Type: Neutral
Formula: C6H11FN2O2
SMILES:   FCC(N)(\C=C\CN)C(O)=O
InChI:   InChI=1/C6H11FN2O2/c7-4-6(9,5(10)11)2-1-3-8/h1-2H,3-4,8-9H2,(H,10,11)/b2-1+/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=35.3053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.164 g/mol  logS: 0.20139  SlogP: -0.7471  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.190217  Sterimol/B1: 2.72711  Sterimol/B2: 3.06998  Sterimol/B3: 3.9949
  Sterimol/B4: 4.12162  Sterimol/L: 10.8614 
 
 Surface and Volume Properties
  Accessible surface: 345.049  Positive charged surface: 241.097  Negative charged surface: 103.953  Volume: 148.625
  Hydrophobic surface: 102.447  Hydrophilic surface: 242.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.