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PUBCHEM-ZINC00657262

 MMsINC code: MMs02721821
Type: Neutral
Formula: C16H12F4O4S2
SMILES:   S(=O)(=O)(C(F)F)c1ccc(cc1)\C=C\c1ccc(S(=O)(=O)C(F)F)cc1
InChI:   InChI=1/C16H12F4O4S2/c17-15(18)25(21,22)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)26(23,24)16(19)20/h1-10,15-16H/b2-1+

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Potential Energy
Epot(MMFF94)=121.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.392 g/mol  logS: -4.70818  SlogP: 4.6894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362606  Sterimol/B1: 2.41451  Sterimol/B2: 2.47694  Sterimol/B3: 3.87363
  Sterimol/B4: 5.4597  Sterimol/L: 18.7581 
 
 Surface and Volume Properties
  Accessible surface: 584.504  Positive charged surface: 207.764  Negative charged surface: 376.74  Volume: 308.25
  Hydrophobic surface: 317.089  Hydrophilic surface: 267.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.