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PUBCHEM-ZINC05527667

 MMsINC code: MMs03298327
Type: Neutral
Formula: C8H6F4S
SMILES:   S(C)c1c(cccc1F)C(F)(F)F
InChI:   InChI=1/C8H6F4S/c1-13-7-5(8(10,11)12)3-2-4-6(7)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.194 g/mol  logS: -3.75781  SlogP: 3.8779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110228  Sterimol/B1: 2.16399  Sterimol/B2: 3.44093  Sterimol/B3: 3.72043
  Sterimol/B4: 5.47427  Sterimol/L: 10.267 
 
 Surface and Volume Properties
  Accessible surface: 341.765  Positive charged surface: 121.8  Negative charged surface: 219.965  Volume: 158.875
  Hydrophobic surface: 227.786  Hydrophilic surface: 113.979
 
 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.