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ALFAAESAR-ZINC05240975

 MMsINC code: MMs00025869
Type: Neutral
Formula: C8H4F2O2
SMILES:   Fc1cccc(F)c1C(=O)C=O
InChI:   InChI=1/C8H4F2O2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.2077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.114 g/mol  logS: -2.3123  SlogP: 1.3464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0949331  Sterimol/B1: 2.94902  Sterimol/B2: 3.5704  Sterimol/B3: 3.8062
  Sterimol/B4: 3.95553  Sterimol/L: 10.6184 
 
 Surface and Volume Properties
  Accessible surface: 320.802  Positive charged surface: 131.911  Negative charged surface: 188.892  Volume: 136.5
  Hydrophobic surface: 222.695  Hydrophilic surface: 98.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.