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PUBCHEM-ZINC05861764

 MMsINC code: MMs03422193
Type: Neutral
Formula: C8H9Cl2O4P
SMILES:   Clc1cc(Cl)ccc1OP(OCC)(O)=O
InChI:   InChI=1/C8H9Cl2O4P/c1-2-13-15(11,12)14-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=-9.05718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.036 g/mol  logS: -3.01863  SlogP: 2.4389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375876  Sterimol/B1: 2.43694  Sterimol/B2: 3.50974  Sterimol/B3: 3.89572
  Sterimol/B4: 4.63645  Sterimol/L: 14.9819 
 
 Surface and Volume Properties
  Accessible surface: 444.542  Positive charged surface: 188.829  Negative charged surface: 255.713  Volume: 207.625
  Hydrophobic surface: 338.874  Hydrophilic surface: 105.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.