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PUBCHEM-ZINC05861831

 MMsINC code: MMs03422212
Type: Neutral
Formula: C10H12Cl3O4P
SMILES:   Clc1cc(Cl)ccc1OP(OCCCl)(OCC)=O
InChI:   InChI=1/C10H12Cl3O4P/c1-2-15-18(14,16-6-5-11)17-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=19.2501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.535 g/mol  logS: -4.12909  SlogP: 3.702  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0921982  Sterimol/B1: 2.78234  Sterimol/B2: 3.61066  Sterimol/B3: 4.0702
  Sterimol/B4: 7.57401  Sterimol/L: 14.4264 
 
 Surface and Volume Properties
  Accessible surface: 513.248  Positive charged surface: 233.143  Negative charged surface: 280.105  Volume: 260.75
  Hydrophobic surface: 400.254  Hydrophilic surface: 112.994
 
 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.