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ACROSORGANICS-ZINC02539346

 MMsINC code: MMs00014069
Type: Neutral
Formula: C7H4F2O
SMILES:   Fc1ccc(F)cc1C=O
InChI:   InChI=1/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.104 g/mol  logS: -1.98095  SlogP: 1.7773  Reactive groups: 1
 
 Topological Properties
  Globularity: 3.11556e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09854  Sterimol/B3: 3.7583
  Sterimol/B4: 3.86385  Sterimol/L: 9.11026 
 
 Surface and Volume Properties
  Accessible surface: 284.687  Positive charged surface: 133.733  Negative charged surface: 150.954  Volume: 117.875
  Hydrophobic surface: 223.37  Hydrophilic surface: 61.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.