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IBS-ZINC04844115

 MMsINC code: MMs01900992
Type: Neutral
Formula: C5H6F2N2O3
SMILES:   FC1(F)C(O)(NC(=O)NC1=O)C
InChI:   InChI=1/C5H6F2N2O3/c1-4(12)5(6,7)2(10)8-3(11)9-4/h12H,1H3,(H2,8,9,10,11)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=8.88973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.11 g/mol  logS: -1.02445  SlogP: -0.4105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.383716  Sterimol/B1: 2.13936  Sterimol/B2: 3.61206  Sterimol/B3: 4.31573
  Sterimol/B4: 4.78398  Sterimol/L: 7.99662 
 
 Surface and Volume Properties
  Accessible surface: 304.94  Positive charged surface: 137.491  Negative charged surface: 167.449  Volume: 127.125
  Hydrophobic surface: 43.6246  Hydrophilic surface: 261.3154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.