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PUBCHEM-ZINC02727382

 MMsINC code: MMs02912511
Type: Neutral
Formula: C13H9Cl4O3P
SMILES:   Clc1c(OP(Oc2cccc(Cl)c2Cl)(=O)C)cccc1Cl
InChI:   InChI=1/C13H9Cl4O3P/c1-21(18,19-10-6-2-4-8(14)12(10)16)20-11-7-3-5-9(15)13(11)17/h2-7H,1H3

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Potential Energy
Epot(MMFF94)=67.8003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.998 g/mol  logS: -5.9527  SlogP: 5.5107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168632  Sterimol/B1: 2.12716  Sterimol/B2: 2.8277  Sterimol/B3: 5.79137
  Sterimol/B4: 7.31484  Sterimol/L: 14.0954 
 
 Surface and Volume Properties
  Accessible surface: 535.636  Positive charged surface: 183.903  Negative charged surface: 351.733  Volume: 292.25
  Hydrophobic surface: 495.935  Hydrophilic surface: 39.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.