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PUBCHEM-ZINC00650838

 MMsINC code: MMs02720374
Type: Neutral
Formula: C17H15ClFN3O3S
SMILES:   Clc1cccc(F)c1Cn1ncc(NS(=O)(=O)c2ccc(OC)cc2)c1
InChI:   InChI=1/C17H15ClFN3O3S/c1-25-13-5-7-14(8-6-13)26(23,24)21-12-9-20-22(10-12)11-15-16(18)3-2-4-17(15)19/h2-10,21H,11H2,1H3

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Potential Energy
Epot(MMFF94)=55.9499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.842 g/mol  logS: -4.22432  SlogP: 3.7997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147985  Sterimol/B1: 2.49268  Sterimol/B2: 3.7753  Sterimol/B3: 4.73879
  Sterimol/B4: 9.20918  Sterimol/L: 12.8591 
 
 Surface and Volume Properties
  Accessible surface: 572.632  Positive charged surface: 318.519  Negative charged surface: 254.112  Volume: 331.125
  Hydrophobic surface: 453.257  Hydrophilic surface: 119.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.