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ENAMINE-ZINC03325318

 MMsINC code: MMs01372756
Type: Neutral
Formula: C15H11F4NO4S
SMILES:   S(=O)(=O)(NC(CC(O)=O)c1ccc(F)cc1)c1ccc(F)c(F)c1F
InChI:   InChI=1/C15H11F4NO4S/c16-9-3-1-8(2-4-9)11(7-13(21)22)20-25(23,24)12-6-5-10(17)14(18)15(12)19/h1-6,11,20H,7H2,(H,21,22)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=12.0826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.314 g/mol  logS: -4.04844  SlogP: 2.8328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19737  Sterimol/B1: 2.95316  Sterimol/B2: 3.08905  Sterimol/B3: 6.03604
  Sterimol/B4: 6.31644  Sterimol/L: 14.6497 
 
 Surface and Volume Properties
  Accessible surface: 516.548  Positive charged surface: 231.946  Negative charged surface: 284.603  Volume: 281.25
  Hydrophobic surface: 377.028  Hydrophilic surface: 139.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01372757
ENAMINE-ZINC03325318