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APOLLO-ZINC00154124

 MMsINC code: MMs00044269
Type: Neutral
Formula: C7H6F2O2S
SMILES:   S(=O)(=O)(C)c1cc(F)c(F)cc1
InChI:   InChI=1/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.5392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.185 g/mol  logS: -2.11553  SlogP: 1.3683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124752  Sterimol/B1: 2.04844  Sterimol/B2: 3.70214  Sterimol/B3: 3.78077
  Sterimol/B4: 4.09368  Sterimol/L: 10.6254 
 
 Surface and Volume Properties
  Accessible surface: 328.316  Positive charged surface: 132.031  Negative charged surface: 196.285  Volume: 146.25
  Hydrophobic surface: 261.374  Hydrophilic surface: 66.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.