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ACROSORGANICS-ZINC03860269

 MMsINC code: MMs00015325
Type: Neutral
Formula: C2HClF2O2
SMILES:   ClC(F)(F)C(O)=O
InChI:   InChI=1/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.0312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.477 g/mol  logS: -1.11096  SlogP: 1.3225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157361  Sterimol/B1: 2.63639  Sterimol/B2: 2.63974  Sterimol/B3: 2.80591
  Sterimol/B4: 2.93735  Sterimol/L: 7.84221 
 
 Surface and Volume Properties
  Accessible surface: 237.104  Positive charged surface: 49.3091  Negative charged surface: 187.795  Volume: 78.125
  Hydrophobic surface: 0  Hydrophilic surface: 237.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00015326
ACROSORGANICS-ZINC03860269