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ENAMINE-ZINC03343749

 MMsINC code: MMs01384753
Type: Neutral
Formula: C14H10ClF4NO2S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccccc2F)cc1C(F)(F)F
InChI:   InChI=1/C14H10ClF4NO2S/c15-12-6-5-10(7-11(12)14(17,18)19)23(21,22)20-8-9-3-1-2-4-13(9)16/h1-7,20H,8H2

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Potential Energy
Epot(MMFF94)=24.5947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.75 g/mol  logS: -5.07658  SlogP: 4.5543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137426  Sterimol/B1: 3.64552  Sterimol/B2: 4.30715  Sterimol/B3: 4.34845
  Sterimol/B4: 5.19042  Sterimol/L: 15.2218 
 
 Surface and Volume Properties
  Accessible surface: 528.479  Positive charged surface: 178.343  Negative charged surface: 350.136  Volume: 275.375
  Hydrophobic surface: 350.512  Hydrophilic surface: 177.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.