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ENAMINE-ZINC06623235

 MMsINC code: MMs01686884
Type: Neutral
Formula: C14H12F3NO4S2
SMILES:   S(=O)(=O)(C)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChI:   InChI=1/C14H12F3NO4S2/c1-23(19,20)11-8-6-10(7-9-11)18-24(21,22)13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3

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Potential Energy
Epot(MMFF94)=59.6329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.379 g/mol  logS: -4.24396  SlogP: 3.2212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174845  Sterimol/B1: 3.52227  Sterimol/B2: 4.10882  Sterimol/B3: 4.88992
  Sterimol/B4: 5.06292  Sterimol/L: 13.7087 
 
 Surface and Volume Properties
  Accessible surface: 517.136  Positive charged surface: 210.345  Negative charged surface: 306.791  Volume: 284.625
  Hydrophobic surface: 315.929  Hydrophilic surface: 201.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.