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PUBCHEM-ZINC05836297

 MMsINC code: MMs03408183
Type: Neutral
Formula: C11H15Cl2O4P
SMILES:   Clc1ccc(OP(OCCC)(OCCCl)=O)cc1
InChI:   InChI=1/C11H15Cl2O4P/c1-2-8-15-18(14,16-9-7-12)17-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=20.7379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.117 g/mol  logS: -3.59657  SlogP: 3.4387  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0487551  Sterimol/B1: 2.81445  Sterimol/B2: 3.14611  Sterimol/B3: 3.77418
  Sterimol/B4: 6.39369  Sterimol/L: 16.2093 
 
 Surface and Volume Properties
  Accessible surface: 515.233  Positive charged surface: 265.795  Negative charged surface: 249.439  Volume: 262.875
  Hydrophobic surface: 389.72  Hydrophilic surface: 125.513
 
 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.