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ACROSORGANICS-ZINC00388201

 MMsINC code: MMs00006897
Type: Neutral
Formula: C6H4Cl2O2
SMILES:   Clc1cc(Cl)c(O)cc1O
InChI:   InChI=1/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H

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Potential Energy
Epot(MMFF94)=31.0579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.002 g/mol  logS: -2.12956  SlogP: 2.4046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223538  Sterimol/B1: 2.32601  Sterimol/B2: 2.32852  Sterimol/B3: 2.5649
  Sterimol/B4: 5.33776  Sterimol/L: 9.45937 
 
 Surface and Volume Properties
  Accessible surface: 320.944  Positive charged surface: 121.348  Negative charged surface: 199.595  Volume: 133.375
  Hydrophobic surface: 228.424  Hydrophilic surface: 92.52
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.