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NCID-ZINC01673726

 MMsINC code: MMs02309545
Type: Neutral
Formula: C7H4F6O2
SMILES:   FC(F)(F)C(=CC(=O)C(=O)C)C(F)(F)F
InChI:   InChI=1/C7H4F6O2/c1-3(14)4(15)2-5(6(8,9)10)7(11,12)13/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.9161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.095 g/mol  logS: -2.94199  SlogP: 3.0353  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0570975  Sterimol/B1: 2.6237  Sterimol/B2: 2.68314  Sterimol/B3: 3.35955
  Sterimol/B4: 3.81405  Sterimol/L: 10.8461 
 
 Surface and Volume Properties
  Accessible surface: 352.611  Positive charged surface: 95.9957  Negative charged surface: 256.616  Volume: 149.75
  Hydrophobic surface: 106.52  Hydrophilic surface: 246.091
 
 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.