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ENAMINE-ZINC05257080

 MMsINC code: MMs01602532
Type: Neutral
Formula: C8H10FS+
SMILES:   [S+](C)(C)c1cc(F)ccc1
InChI:   InChI=1/C8H10FS/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.7305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.232 g/mol  logS: -2.57088  SlogP: 2.0625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129474  Sterimol/B1: 2.31161  Sterimol/B2: 2.39973  Sterimol/B3: 3.8656
  Sterimol/B4: 5.17638  Sterimol/L: 10.1913 
 
 Surface and Volume Properties
  Accessible surface: 340.744  Positive charged surface: 197.975  Negative charged surface: 142.769  Volume: 152.75
  Hydrophobic surface: 280.329  Hydrophilic surface: 60.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.