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ENAMINE-ZINC03332191

 MMsINC code: MMs01377449
Type: Neutral
Formula: C16H14F3NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(F)(F)F)c1ccc(cc1)C(OCC)=O
InChI:   InChI=1/C16H14F3NO4S/c1-2-24-15(21)11-7-9-12(10-8-11)25(22,23)20-14-6-4-3-5-13(14)16(17,18)19/h3-10,20H,2H2,1H3

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Potential Energy
Epot(MMFF94)=63.34 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.351 g/mol  logS: -4.81221  SlogP: 3.9944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146065  Sterimol/B1: 3.91303  Sterimol/B2: 4.50501  Sterimol/B3: 4.78273
  Sterimol/B4: 6.75584  Sterimol/L: 14.9435 
 
 Surface and Volume Properties
  Accessible surface: 558.696  Positive charged surface: 266.407  Negative charged surface: 292.29  Volume: 299.625
  Hydrophobic surface: 341.086  Hydrophilic surface: 217.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.