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MICROSOURCE-ZINC01530968

 MMsINC code: MMs02187819
Type: Neutral
Formula: C13H6Cl6O2
SMILES:   Clc1c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c(O)c(Cl)cc1Cl
InChI:   InChI=1/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2

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Potential Energy
Epot(MMFF94)=93.3567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.907 g/mol  logS: -6.86965  SlogP: 6.60897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168269  Sterimol/B1: 2.71917  Sterimol/B2: 4.58137  Sterimol/B3: 4.74153
  Sterimol/B4: 4.825  Sterimol/L: 11.7875 
 
 Surface and Volume Properties
  Accessible surface: 506.266  Positive charged surface: 130.323  Negative charged surface: 375.943  Volume: 285.625
  Hydrophobic surface: 469.332  Hydrophilic surface: 36.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.