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ACROSORGANICS-ZINC00388513

 MMsINC code: MMs00007044
Type: Neutral
Formula: C6H4Cl2O
SMILES:   Clc1cc(O)ccc1Cl
InChI:   InChI=1/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.4789 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: 0.01373  Sterimol/B1: 2.14776  Sterimol/B2: 2.29524  Sterimol/B3: 2.65569
  Sterimol/B4: 5.62688  Sterimol/L: 9.62402 
 
 Surface and Volume Properties
  Accessible surface: 305.068  Positive charged surface: 110.048  Negative charged surface: 195.02  Volume: 129.5
  Hydrophobic surface: 253.348  Hydrophilic surface: 51.72
 
 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.