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ACROSORGANICS-ZINC00388511

 MMsINC code: MMs00007042
Type: Neutral
Formula: C6H4Cl2O
SMILES:   Clc1c(O)cccc1Cl
InChI:   InChI=1/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.003 g/mol  logS: -2.49151  SlogP: 2.699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148431  Sterimol/B1: 2.14908  Sterimol/B2: 2.24104  Sterimol/B3: 2.44273
  Sterimol/B4: 6.04351  Sterimol/L: 8.45348 
 
 Surface and Volume Properties
  Accessible surface: 305.349  Positive charged surface: 109.77  Negative charged surface: 195.579  Volume: 130
  Hydrophobic surface: 259.354  Hydrophilic surface: 45.995
 
 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.