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ACROSORGANICS-ZINC04284478

 MMsINC code: MMs00018131
Type: Neutral
Formula: C10H5F6IO4+2
SMILES:   [I+2](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)c1ccccc1
InChI:   InChI=1/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H/q+2

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Potential Energy
Epot(MMFF94)=69.2136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.038 g/mol  logS: -5.3218  SlogP: 3.3577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106905  Sterimol/B1: 3.23596  Sterimol/B2: 3.41322  Sterimol/B3: 3.63868
  Sterimol/B4: 7.95743  Sterimol/L: 13.4029 
 
 Surface and Volume Properties
  Accessible surface: 500.152  Positive charged surface: 125.643  Negative charged surface: 374.509  Volume: 235.125
  Hydrophobic surface: 215.777  Hydrophilic surface: 284.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.