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ENAMINE-ZINC03097863

 MMsINC code: MMs01290201
Type: Neutral
Formula: C8H6F2O4S
SMILES:   S(=O)(=O)(C(F)F)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C8H6F2O4S/c9-8(10)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.194 g/mol  logS: -1.57884  SlogP: 1.801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082566  Sterimol/B1: 2.44486  Sterimol/B2: 3.14226  Sterimol/B3: 3.23225
  Sterimol/B4: 4.91031  Sterimol/L: 12.2007 
 
 Surface and Volume Properties
  Accessible surface: 372.437  Positive charged surface: 150.421  Negative charged surface: 222.016  Volume: 171.125
  Hydrophobic surface: 143.894  Hydrophilic surface: 228.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01290202
ENAMINE-ZINC03097863