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ACROSORGANICS-ZINC01504178

 MMsINC code: MMs00008797
Type: Neutral
Formula: C6H2Cl4O
SMILES:   Clc1c(O)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

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Potential Energy
Epot(MMFF94)=35.9385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.893 g/mol  logS: -3.96009  SlogP: 4.0058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143757  Sterimol/B1: 2.097  Sterimol/B2: 2.28255  Sterimol/B3: 4.74729
  Sterimol/B4: 4.75224  Sterimol/L: 8.46085 
 
 Surface and Volume Properties
  Accessible surface: 347.973  Positive charged surface: 75.9935  Negative charged surface: 271.979  Volume: 156.5
  Hydrophobic surface: 306.705  Hydrophilic surface: 41.268
 
 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.