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ENAMINE-ZINC05257314

 MMsINC code: MMs01602594
Type: Neutral
Formula: C9H6F6O5S2
SMILES:   S(=O)(=O)(C(F)(F)F)c1cc(OC)cc(S(=O)(=O)C(F)(F)F)c1
InChI:   InChI=1/C9H6F6O5S2/c1-20-5-2-6(21(16,17)8(10,11)12)4-7(3-5)22(18,19)9(13,14)15/h2-4H,1H3

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Potential Energy
Epot(MMFF94)=114.136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.262 g/mol  logS: -3.99454  SlogP: 3.122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15227  Sterimol/B1: 2.48693  Sterimol/B2: 3.00444  Sterimol/B3: 3.78744
  Sterimol/B4: 8.3738  Sterimol/L: 11.4326 
 
 Surface and Volume Properties
  Accessible surface: 464.932  Positive charged surface: 127.877  Negative charged surface: 337.056  Volume: 230.625
  Hydrophobic surface: 137.783  Hydrophilic surface: 327.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.