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IFLAB-ZINC02685687

 MMsINC code: MMs01993247
Type: Neutral
Formula: C12H14F4N2O4S
SMILES:   S(=O)(=O)(N(CC(F)(F)C(F)F)C)c1ccc(NC(OC)=O)cc1
InChI:   InChI=1/C12H14F4N2O4S/c1-18(7-12(15,16)10(13)14)23(20,21)9-5-3-8(4-6-9)17-11(19)22-2/h3-6,10H,7H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=53.8935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.312 g/mol  logS: -2.8088  SlogP: 3.2256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482451  Sterimol/B1: 2.48725  Sterimol/B2: 2.52881  Sterimol/B3: 4.60539
  Sterimol/B4: 6.46937  Sterimol/L: 16.978 
 
 Surface and Volume Properties
  Accessible surface: 531.724  Positive charged surface: 297.471  Negative charged surface: 234.254  Volume: 273.125
  Hydrophobic surface: 302.707  Hydrophilic surface: 229.017
 
 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.