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MAYBRIDGE-ZINC01034450

 MMsINC code: MMs02150824
Type: Neutral
Formula: C13H15F3N2O4S
SMILES:   S(=O)(=O)(NC1CCCCNC1=O)c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C13H15F3N2O4S/c14-13(15,16)22-9-4-6-10(7-5-9)23(20,21)18-11-3-1-2-8-17-12(11)19/h4-7,11,18H,1-3,8H2,(H,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=44.6201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.333 g/mol  logS: -3.33891  SlogP: 1.9521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153764  Sterimol/B1: 3.06225  Sterimol/B2: 4.51572  Sterimol/B3: 4.85786
  Sterimol/B4: 5.63695  Sterimol/L: 13.2012 
 
 Surface and Volume Properties
  Accessible surface: 513.099  Positive charged surface: 250.695  Negative charged surface: 262.404  Volume: 272.75
  Hydrophobic surface: 259.078  Hydrophilic surface: 254.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.