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PUBCHEM-ZINC02749771

 MMsINC code: MMs02916401
Type: Neutral
Formula: C14H14F2N2O4S2
SMILES:   S(=O)(=O)(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChI:   InChI=1/C14H14F2N2O4S2/c15-11-1-5-13(6-2-11)23(19,20)17-9-10-18-24(21,22)14-7-3-12(16)4-8-14/h1-8,17-18H,9-10H2

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Potential Energy
Epot(MMFF94)=12.8935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.404 g/mol  logS: -3.44514  SlogP: 1.2216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132629  Sterimol/B1: 2.36542  Sterimol/B2: 3.99301  Sterimol/B3: 5.08097
  Sterimol/B4: 6.38431  Sterimol/L: 15.0051 
 
 Surface and Volume Properties
  Accessible surface: 572.977  Positive charged surface: 255.535  Negative charged surface: 317.442  Volume: 295.375
  Hydrophobic surface: 407.371  Hydrophilic surface: 165.606
 
 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: no related molecules available.