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ENAMINE-ZINC00101762

 MMsINC code: MMs01224067
Type: Neutral
Formula: C14H12ClF2NO2S
SMILES:   Clc1ccc(N(S(=O)(=O)c2ccc(cc2)C)C(F)F)cc1
InChI:   InChI=1/C14H12ClF2NO2S/c1-10-2-8-13(9-3-10)21(19,20)18(14(16)17)12-6-4-11(15)5-7-12/h2-9,14H,1H3

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Potential Energy
Epot(MMFF94)=30.7001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.77 g/mol  logS: -4.41438  SlogP: 4.48622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821919  Sterimol/B1: 3.09013  Sterimol/B2: 4.24808  Sterimol/B3: 4.71621
  Sterimol/B4: 5.67734  Sterimol/L: 14.2389 
 
 Surface and Volume Properties
  Accessible surface: 505.14  Positive charged surface: 198.459  Negative charged surface: 306.681  Volume: 269.875
  Hydrophobic surface: 383.968  Hydrophilic surface: 121.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.