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PUBCHEM-ZINC00336280

 MMsINC code: MMs02657844
Type: Neutral
Formula: C16H13ClN2O3S
SMILES:   Clc1ccccc1S(=O)(=O)NC(=O)c1c2c([nH]c1C)cccc2
InChI:   InChI=1/C16H13ClN2O3S/c1-10-15(11-6-2-4-8-13(11)18-10)16(20)19-23(21,22)14-9-5-3-7-12(14)17/h2-9,18H,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=16.8709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.81 g/mol  logS: -4.91554  SlogP: 3.24842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772883  Sterimol/B1: 2.43533  Sterimol/B2: 3.70287  Sterimol/B3: 4.64729
  Sterimol/B4: 7.25735  Sterimol/L: 15.3518 
 
 Surface and Volume Properties
  Accessible surface: 526.09  Positive charged surface: 239.683  Negative charged surface: 281.505  Volume: 292.625
  Hydrophobic surface: 404.57  Hydrophilic surface: 121.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.