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ENAMINE-ZINC03445027

 MMsINC code: MMs01446753
Type: Neutral
Formula: C19H20ClFN2O4S
SMILES:   Clc1cccc(F)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChI:   InChI=1/C19H20ClFN2O4S/c1-27-14-5-7-15(8-6-14)28(25,26)23-11-9-22(10-12-23)19(24)13-16-17(20)3-2-4-18(16)21/h2-8H,9-13H2,1H3

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Potential Energy
Epot(MMFF94)=82.3024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.896 g/mol  logS: -4.42288  SlogP: 2.56327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695622  Sterimol/B1: 2.77229  Sterimol/B2: 3.61162  Sterimol/B3: 4.53983
  Sterimol/B4: 7.15572  Sterimol/L: 19.1652 
 
 Surface and Volume Properties
  Accessible surface: 648.629  Positive charged surface: 373.034  Negative charged surface: 275.595  Volume: 364.75
  Hydrophobic surface: 562.904  Hydrophilic surface: 85.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.