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ACROSORGANICS-ZINC00119234

 MMsINC code: MMs00004075
Type: Neutral
Formula: C6H2F4S
SMILES:   Sc1c(F)c(F)cc(F)c1F
InChI:   InChI=1/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.0052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.14 g/mol  logS: -3.58278  SlogP: 2.5317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285347  Sterimol/B1: 2.10109  Sterimol/B2: 2.66157  Sterimol/B3: 3.87006
  Sterimol/B4: 3.87086  Sterimol/L: 9.25293 
 
 Surface and Volume Properties
  Accessible surface: 295.876  Positive charged surface: 99.7929  Negative charged surface: 196.083  Volume: 124.375
  Hydrophobic surface: 246.955  Hydrophilic surface: 48.921
 
 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


MMs00004076
ACROSORGANICS-ZINC00119234