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APOLLO-ZINC02569907

 MMsINC code: MMs00054472
Type: Ionized
Formula: C11H5F6O2-
SMILES:   FC(F)(F)c1cc(cc(c1)\C=C\C(=O)[O-])C(F)(F)F
InChI:   InChI=1/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/p-1/b2-1+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5545 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: 0.0462099  Sterimol/B1: 2.52489  Sterimol/B2: 2.63582  Sterimol/B3: 3.54335
  Sterimol/B4: 6.29821  Sterimol/L: 12.3061 
 
 Surface and Volume Properties
  Accessible surface: 428.278  Positive charged surface: 92.8414  Negative charged surface: 335.436  Volume: 198.75
  Hydrophobic surface: 117.037  Hydrophilic surface: 311.241
 
 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:


MMs00054471
APOLLO-ZINC02569907