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ENAMINE-ZINC03331630

 MMsINC code: MMs01377095
Type: Neutral
Formula: C11H10F3NO4S
SMILES:   S(=O)(=O)(NC1CCOC1=O)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C11H10F3NO4S/c12-11(13,14)7-2-1-3-8(6-7)20(17,18)15-9-4-5-19-10(9)16/h1-3,6,9,15H,4-5H2/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=38.9359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.264 g/mol  logS: -3.03819  SlogP: 1.6107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188495  Sterimol/B1: 2.42547  Sterimol/B2: 3.05454  Sterimol/B3: 5.39609
  Sterimol/B4: 6.29139  Sterimol/L: 12.7394 
 
 Surface and Volume Properties
  Accessible surface: 444.181  Positive charged surface: 198.828  Negative charged surface: 245.353  Volume: 229.125
  Hydrophobic surface: 217.248  Hydrophilic surface: 226.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.