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PUBCHEM-ZINC06489721

 MMsINC code: MMs03764234
Type: Neutral
Formula: C6H9FN2O3
SMILES:   FC1(CC)C(O)NC(=O)NC1=O
InChI:   InChI=1/C6H9FN2O3/c1-2-6(7)3(10)8-5(12)9-4(6)11/h3,10H,2H2,1H3,(H2,8,9,11,12)/t3-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=-13.3002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.147 g/mol  logS: -0.67134  SlogP: -0.3176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301458  Sterimol/B1: 2.73365  Sterimol/B2: 3.59438  Sterimol/B3: 3.84222
  Sterimol/B4: 3.88251  Sterimol/L: 8.81941 
 
 Surface and Volume Properties
  Accessible surface: 323.132  Positive charged surface: 190.003  Negative charged surface: 133.129  Volume: 140.375
  Hydrophobic surface: 97.9515  Hydrophilic surface: 225.1805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.