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ACROSORGANICS-ZINC00389550

 MMsINC code: MMs00007163
Type: Ionized
Formula: C7H2F3O2-
SMILES:   Fc1c(F)cc(cc1F)C(=O)[O-]
InChI:   InChI=1/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.6438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.085 g/mol  logS: -2.49967  SlogP: 0.4674  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.62519e-08  Sterimol/B1: 2.09711  Sterimol/B2: 2.09769  Sterimol/B3: 2.64955
  Sterimol/B4: 5.0662  Sterimol/L: 9.54216 
 
 Surface and Volume Properties
  Accessible surface: 298.313  Positive charged surface: 91.1663  Negative charged surface: 207.146  Volume: 122.875
  Hydrophobic surface: 209.509  Hydrophilic surface: 88.804
 
 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:


MMs00007162
ACROSORGANICS-ZINC00389550