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OAKWOOD-ZINC04244662

 MMsINC code: MMs02549350
Type: Neutral
Formula: C7H6F2S
SMILES:   SCc1cc(F)ccc1F
InChI:   InChI=1/C7H6F2S/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.2487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.187 g/mol  logS: -2.93686  SlogP: 2.661  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0651097  Sterimol/B1: 2.57194  Sterimol/B2: 3.2804  Sterimol/B3: 3.7889
  Sterimol/B4: 3.86412  Sterimol/L: 10.2207 
 
 Surface and Volume Properties
  Accessible surface: 316.868  Positive charged surface: 148.48  Negative charged surface: 168.388  Volume: 134.875
  Hydrophobic surface: 257.566  Hydrophilic surface: 59.302
 
 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.