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ENAMINE-ZINC04744096

 MMsINC code: MMs01551478
Type: Neutral
Formula: C9H4F4O4
SMILES:   Fc1c(CC(O)=O)c(F)c(F)c(C(O)=O)c1F
InChI:   InChI=1/C9H4F4O4/c10-5-2(1-3(14)15)6(11)8(13)4(7(5)12)9(16)17/h1H2,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=16.8699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.119 g/mol  logS: -2.56507  SlogP: 1.56827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982922  Sterimol/B1: 2.04537  Sterimol/B2: 3.87708  Sterimol/B3: 3.88122
  Sterimol/B4: 4.10135  Sterimol/L: 12.2955 
 
 Surface and Volume Properties
  Accessible surface: 386.167  Positive charged surface: 166.181  Negative charged surface: 219.986  Volume: 170.375
  Hydrophobic surface: 201.394  Hydrophilic surface: 184.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01551479
ENAMINE-ZINC04744096