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ACROSORGANICS-ZINC00732126

 MMsINC code: MMs00008114
Type: Ionized
Formula: C8H5ClFO2-
SMILES:   Clc1cc(cc(F)c1)CC(=O)[O-]
InChI:   InChI=1/C8H6ClFO2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.577 g/mol  logS: -2.70547  SlogP: 0.77147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098029  Sterimol/B1: 2.46639  Sterimol/B2: 2.68007  Sterimol/B3: 3.83921
  Sterimol/B4: 5.90229  Sterimol/L: 10.7335 
 
 Surface and Volume Properties
  Accessible surface: 345.564  Positive charged surface: 124.162  Negative charged surface: 221.402  Volume: 150.125
  Hydrophobic surface: 255.597  Hydrophilic surface: 89.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00008113
ACROSORGANICS-ZINC00732126