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ACROSORGANICS-ZINC00167127

 MMsINC code: MMs00006407
Type: Neutral
Formula: C7H5F3O
SMILES:   FC(F)(F)Oc1ccccc1
InChI:   InChI=1/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.1749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.11 g/mol  logS: -2.57421  SlogP: 3.0051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366608  Sterimol/B1: 2.63694  Sterimol/B2: 2.64018  Sterimol/B3: 3.40646
  Sterimol/B4: 4.44477  Sterimol/L: 10.1026 
 
 Surface and Volume Properties
  Accessible surface: 308.631  Positive charged surface: 111.411  Negative charged surface: 197.219  Volume: 126.375
  Hydrophobic surface: 189.798  Hydrophilic surface: 118.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.