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ACROSORGANICS-ZINC01583742

 MMsINC code: MMs00009515
Type: Neutral
Formula: C6HF5O
SMILES:   Fc1c(O)c(F)c(F)c(F)c1F
InChI:   InChI=1/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.063 g/mol  logS: -2.49783  SlogP: 2.0877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014271  Sterimol/B1: 2.097  Sterimol/B2: 2.28653  Sterimol/B3: 3.86795
  Sterimol/B4: 3.86831  Sterimol/L: 8.7459 
 
 Surface and Volume Properties
  Accessible surface: 286.709  Positive charged surface: 100.691  Negative charged surface: 186.018  Volume: 112.625
  Hydrophobic surface: 237.118  Hydrophilic surface: 49.591
 
 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.