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PUBCHEM-ZINC03641633

 MMsINC code: MMs03031421
Type: Neutral
Formula: C6H11Cl2O4P
SMILES:   ClC(Cl)=COP(OC(C)C)(OC)=O
InChI:   InChI=1/C6H11Cl2O4P/c1-5(2)12-13(9,10-3)11-4-6(7)8/h4-5H,1-3H3/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.80483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.03 g/mol  logS: -2.32322  SlogP: 2.4977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102007  Sterimol/B1: 2.30316  Sterimol/B2: 3.39537  Sterimol/B3: 4.27247
  Sterimol/B4: 6.34759  Sterimol/L: 13.0474 
 
 Surface and Volume Properties
  Accessible surface: 433.5  Positive charged surface: 198.135  Negative charged surface: 235.365  Volume: 197.375
  Hydrophobic surface: 335.219  Hydrophilic surface: 98.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.