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ENAMINE-ZINC03300883

 MMsINC code: MMs01358501
Type: Neutral
Formula: C10H9ClF3NO4S
SMILES:   Clc1ccc(cc1S(=O)(=O)NC(C(O)=O)C)C(F)(F)F
InChI:   InChI=1/C10H9ClF3NO4S/c1-5(9(16)17)15-20(18,19)8-4-6(10(12,13)14)2-3-7(8)11/h2-5,15H,1H3,(H,16,17)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=26.7625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.698 g/mol  logS: -3.33675  SlogP: 2.4217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231514  Sterimol/B1: 2.76196  Sterimol/B2: 4.51979  Sterimol/B3: 4.72022
  Sterimol/B4: 6.45156  Sterimol/L: 11.8266 
 
 Surface and Volume Properties
  Accessible surface: 458.338  Positive charged surface: 164.329  Negative charged surface: 294.009  Volume: 234.375
  Hydrophobic surface: 187.919  Hydrophilic surface: 270.419
 
 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


MMs01358502
ENAMINE-ZINC03300883