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PUBCHEM-ZINC00393150

 MMsINC code: MMs02672469
Type: Neutral
Formula: C8H6F4O2
SMILES:   Fc1c(CO)c(F)c(F)c(CO)c1F
InChI:   InChI=1/C8H6F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.3937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.126 g/mol  logS: -2.10684  SlogP: 1.7604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522554  Sterimol/B1: 2.38984  Sterimol/B2: 3.06127  Sterimol/B3: 3.86381
  Sterimol/B4: 3.86548  Sterimol/L: 11.5511 
 
 Surface and Volume Properties
  Accessible surface: 357.799  Positive charged surface: 195.946  Negative charged surface: 161.852  Volume: 155.25
  Hydrophobic surface: 232.311  Hydrophilic surface: 125.488
 
 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: no related molecules available.