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ENAMINE-ZINC05633634

 MMsINC code: MMs01629157
Type: Neutral
Formula: C17H16F2N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)c2c(F)cccc2F)ccc1
InChI:   InChI=1/C17H16F2N2O4S/c18-14-5-2-6-15(19)16(14)17(22)20-12-3-1-4-13(11-12)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=75.9653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.387 g/mol  logS: -4.14987  SlogP: 2.238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453663  Sterimol/B1: 2.42012  Sterimol/B2: 2.79649  Sterimol/B3: 4.78945
  Sterimol/B4: 8.03534  Sterimol/L: 17.2606 
 
 Surface and Volume Properties
  Accessible surface: 591.184  Positive charged surface: 333.003  Negative charged surface: 258.181  Volume: 316.375
  Hydrophobic surface: 485.76  Hydrophilic surface: 105.424
 
 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.