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NCID-ZINC01583743

 MMsINC code: MMs02240545
Type: Neutral
Formula: C6F6
SMILES:   Fc1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.4739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.054 g/mol  logS: -3.15476  SlogP: 2.5212  Reactive groups: 0
 
 Topological Properties
  Globularity: 8.05804e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09977  Sterimol/B3: 3.2773
  Sterimol/B4: 5.0904  Sterimol/L: 8.16317 
 
 Surface and Volume Properties
  Accessible surface: 278.049  Positive charged surface: 75.7156  Negative charged surface: 202.333  Volume: 107.875
  Hydrophobic surface: 278.049  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.