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OAKWOOD-ZINC02511091

 MMsINC code: MMs02544052
Type: Neutral
Formula: C7H6F2S
SMILES:   S(C)c1ccc(F)cc1F
InChI:   InChI=1/C7H6F2S/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.1591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.187 g/mol  logS: -2.99624  SlogP: 2.6867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198347  Sterimol/B1: 2.37372  Sterimol/B2: 2.37667  Sterimol/B3: 3.96093
  Sterimol/B4: 4.21438  Sterimol/L: 10.4182 
 
 Surface and Volume Properties
  Accessible surface: 312.909  Positive charged surface: 132.481  Negative charged surface: 180.428  Volume: 134.375
  Hydrophobic surface: 272.712  Hydrophilic surface: 40.197
 
 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.