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PUBCHEM-ZINC06854862

 MMsINC code: MMs03874537
Type: Neutral
Formula: C7H3F5S
SMILES:   SCc1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C7H3F5S/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.0483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.157 g/mol  logS: -3.8218  SlogP: 3.0783  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0633191  Sterimol/B1: 2.0404  Sterimol/B2: 3.81124  Sterimol/B3: 3.8648
  Sterimol/B4: 3.86748  Sterimol/L: 10.5054 
 
 Surface and Volume Properties
  Accessible surface: 335.404  Positive charged surface: 126.387  Negative charged surface: 209.017  Volume: 145.25
  Hydrophobic surface: 277.366  Hydrophilic surface: 58.038
 
 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.