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ACROSORGANICS-ZINC01529471

 MMsINC code: MMs00008856
Type: Neutral
Formula: C6HCl5O
SMILES:   Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

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Potential Energy
Epot(MMFF94)=41.7747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.338 g/mol  logS: -4.69438  SlogP: 4.6592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013097  Sterimol/B1: 2.097  Sterimol/B2: 2.32118  Sterimol/B3: 4.74969
  Sterimol/B4: 4.74976  Sterimol/L: 9.67727 
 
 Surface and Volume Properties
  Accessible surface: 362.755  Positive charged surface: 66.2744  Negative charged surface: 296.481  Volume: 172.625
  Hydrophobic surface: 321.488  Hydrophilic surface: 41.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.