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PUBCHEM-ZINC06582352

 MMsINC code: MMs03808184
Type: Neutral
Formula: C7H8Cl2O5P2
SMILES:   ClC(Cl)(P(O)(=O)c1ccccc1)P(O)(O)=O
InChI:   InChI=1/C7H8Cl2O5P2/c8-7(9,16(12,13)14)15(10,11)6-4-2-1-3-5-6/h1-5H,(H,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=10.2073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.99 g/mol  logS: -1.86442  SlogP: 0.1284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967043  Sterimol/B1: 3.38113  Sterimol/B2: 3.59747  Sterimol/B3: 3.77576
  Sterimol/B4: 3.97837  Sterimol/L: 12.917 
 
 Surface and Volume Properties
  Accessible surface: 423.908  Positive charged surface: 154.558  Negative charged surface: 269.35  Volume: 218.125
  Hydrophobic surface: 165.966  Hydrophilic surface: 257.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.