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ALFAAESAR-ZINC04334553

 MMsINC code: MMs00024742
Type: Neutral
Formula: C7H4F4S
SMILES:   S(C(F)(F)F)c1ccc(F)cc1
InChI:   InChI=1/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.7615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.167 g/mol  logS: -3.84021  SlogP: 3.8575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319368  Sterimol/B1: 2.63687  Sterimol/B2: 2.64026  Sterimol/B3: 3.18757
  Sterimol/B4: 4.70655  Sterimol/L: 10.7151 
 
 Surface and Volume Properties
  Accessible surface: 323.923  Positive charged surface: 91.7638  Negative charged surface: 232.159  Volume: 143.25
  Hydrophobic surface: 183.317  Hydrophilic surface: 140.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.