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APOLLO-ZINC02560163

 MMsINC code: MMs00053789
Type: Neutral
Formula: C7H3F5O
SMILES:   Fc1c(cc(O)cc1F)C(F)(F)F
InChI:   InChI=1/C7H3F5O/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2,13H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.09 g/mol  logS: -2.66944  SlogP: 3.0007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519749  Sterimol/B1: 2.4484  Sterimol/B2: 2.52632  Sterimol/B3: 2.82252
  Sterimol/B4: 5.47114  Sterimol/L: 8.82043 
 
 Surface and Volume Properties
  Accessible surface: 315.76  Positive charged surface: 98.6689  Negative charged surface: 217.091  Volume: 131.625
  Hydrophobic surface: 163.109  Hydrophilic surface: 152.651
 
 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.