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ACROSORGANICS-ZINC00388324

 MMsINC code: MMs00006960
Type: Neutral
Formula: C6H3Cl3O
SMILES:   Clc1c(Cl)c(Cl)ccc1O
InChI:   InChI=1/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.6149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.448 g/mol  logS: -3.2258  SlogP: 3.3524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136977  Sterimol/B1: 2.14046  Sterimol/B2: 2.29378  Sterimol/B3: 2.461
  Sterimol/B4: 5.96974  Sterimol/L: 9.67359 
 
 Surface and Volume Properties
  Accessible surface: 323.519  Positive charged surface: 95.4035  Negative charged surface: 228.115  Volume: 143.875
  Hydrophobic surface: 276.959  Hydrophilic surface: 46.56
 
 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.