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NCID-ZINC04802230

 MMsINC code: MMs02407378
Type: Neutral
Formula: C10H10ClIO4+2
SMILES:   [I+2](OC(=O)C)(OC(=O)C)c1ccc(Cl)cc1
InChI:   InChI=1/C10H10ClIO4/c1-7(13)15-12(16-8(2)14)10-5-3-9(11)4-6-10/h3-6H,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=18.9895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.543 g/mol  logS: -3.90483  SlogP: 2.0865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10045  Sterimol/B1: 2.24718  Sterimol/B2: 2.70352  Sterimol/B3: 4.03239
  Sterimol/B4: 8.69683  Sterimol/L: 14.0195 
 
 Surface and Volume Properties
  Accessible surface: 489.242  Positive charged surface: 228.392  Negative charged surface: 260.85  Volume: 232.875
  Hydrophobic surface: 421.413  Hydrophilic surface: 67.829
 
 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.