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ACROSORGANICS-ZINC00340730

 MMsINC code: MMs00006777
Type: Neutral
Formula: C7H4Cl2O2
SMILES:   Clc1cc(Cl)ccc1C(O)=O
InChI:   InChI=1/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.013 g/mol  logS: -2.82286  SlogP: 2.6916  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.09175e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.099  Sterimol/B3: 2.46497
  Sterimol/B4: 6.15429  Sterimol/L: 11.0437 
 
 Surface and Volume Properties
  Accessible surface: 332.094  Positive charged surface: 118.121  Negative charged surface: 213.973  Volume: 146.125
  Hydrophobic surface: 245.539  Hydrophilic surface: 86.555
 
 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


MMs00006778
ACROSORGANICS-ZINC00340730