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PUBCHEM-ZINC02845658

 MMsINC code: MMs02936483
Type: Neutral
Formula: C8H3F6IO4S2
SMILES:   Ic1cc(S(=O)(=O)C(F)(F)F)cc(S(=O)(=O)C(F)(F)F)c1
InChI:   InChI=1/C8H3F6IO4S2/c9-7(10,11)20(16,17)5-1-4(15)2-6(3-5)21(18,19)8(12,13)14/h1-3H

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Potential Energy
Epot(MMFF94)=101.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.132 g/mol  logS: -4.93568  SlogP: 3.718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12873  Sterimol/B1: 3.24693  Sterimol/B2: 3.55785  Sterimol/B3: 3.55899
  Sterimol/B4: 7.21842  Sterimol/L: 12.386 
 
 Surface and Volume Properties
  Accessible surface: 472.835  Positive charged surface: 42.5396  Negative charged surface: 430.295  Volume: 235.5
  Hydrophobic surface: 148.981  Hydrophilic surface: 323.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.