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PUBCHEM-ZINC02569906

 MMsINC code: MMs02902539
Type: Ionized
Formula: C11H5F6O2-
SMILES:   FC(F)(F)c1ccc(cc1\C=C\C(=O)[O-])C(F)(F)F
InChI:   InChI=1/C11H6F6O2/c12-10(13,14)7-2-3-8(11(15,16)17)6(5-7)1-4-9(18)19/h1-5H,(H,18,19)/p-1/b4-1+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.147 g/mol  logS: -4.23365  SlogP: 3.1103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071265  Sterimol/B1: 2.66021  Sterimol/B2: 2.94995  Sterimol/B3: 4.42089
  Sterimol/B4: 5.0755  Sterimol/L: 12.0622 
 
 Surface and Volume Properties
  Accessible surface: 422.771  Positive charged surface: 103.006  Negative charged surface: 319.765  Volume: 198.25
  Hydrophobic surface: 125.262  Hydrophilic surface: 297.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs02902538
PUBCHEM-ZINC02569906