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ACROSORGANICS-ZINC01666662

 MMsINC code: MMs00010423
Type: Neutral
Formula: C4H2F4O4
SMILES:   FC(F)(C(F)(F)C(O)=O)C(O)=O
InChI:   InChI=1/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.048 g/mol  logS: -0.9889  SlogP: 1.266  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102051  Sterimol/B1: 2.63661  Sterimol/B2: 2.64058  Sterimol/B3: 2.86519
  Sterimol/B4: 3.17885  Sterimol/L: 10.2391 
 
 Surface and Volume Properties
  Accessible surface: 290.052  Positive charged surface: 89.6423  Negative charged surface: 200.409  Volume: 112.125
  Hydrophobic surface: 0  Hydrophilic surface: 290.052
 
 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


MMs00010424
ACROSORGANICS-ZINC01666662