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ACROSORGANICS-ZINC00164553

 MMsINC code: MMs00006193
Type: Neutral
Formula: C8H4F6O
SMILES:   FC(F)(F)c1cc(cc(O)c1)C(F)(F)F
InChI:   InChI=1/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.107 g/mol  logS: -3.13603  SlogP: 4.0528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072567  Sterimol/B1: 2.79274  Sterimol/B2: 2.82194  Sterimol/B3: 2.83114
  Sterimol/B4: 5.89672  Sterimol/L: 9.94797 
 
 Surface and Volume Properties
  Accessible surface: 352.76  Positive charged surface: 86.0365  Negative charged surface: 266.723  Volume: 152.25
  Hydrophobic surface: 93.7239  Hydrophilic surface: 259.0361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.