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NCID-ZINC04416048

 MMsINC code: MMs02385992
Type: Neutral
Formula: C2H4I2O6S2
SMILES:   IC(I)C(S(O)(=O)=O)S(O)(=O)=O
InChI:   InChI=1/C2H4I2O6S2/c3-1(4)2(11(5,6)7)12(8,9)10/h1-2H,(H,5,6,7)(H,8,9,10)

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Potential Energy
Epot(MMFF94)=-3.79418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.988 g/mol  logS: -3.00964  SlogP: -0.4273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238111  Sterimol/B1: 2.6637  Sterimol/B2: 4.0455  Sterimol/B3: 4.66811
  Sterimol/B4: 4.92987  Sterimol/L: 9.613 
 
 Surface and Volume Properties
  Accessible surface: 361.389  Positive charged surface: 90.1072  Negative charged surface: 271.282  Volume: 176.5
  Hydrophobic surface: 174.09  Hydrophilic surface: 187.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs02385993
NCID-ZINC04416048