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PUBCHEM-ZINC00990495

 MMsINC code: MMs02751135
Type: Neutral
Formula: C17H13ClN2O3S
SMILES:   Clc1ccc(nc1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C17H13ClN2O3S/c18-13-6-11-17(19-12-13)20-24(21,22)16-9-7-15(8-10-16)23-14-4-2-1-3-5-14/h1-12H,(H,19,20)

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Potential Energy
Epot(MMFF94)=51.1232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.821 g/mol  logS: -4.61684  SlogP: 4.3281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689816  Sterimol/B1: 3.32727  Sterimol/B2: 4.18859  Sterimol/B3: 5.5428
  Sterimol/B4: 5.6662  Sterimol/L: 16.4179 
 
 Surface and Volume Properties
  Accessible surface: 571.058  Positive charged surface: 268.018  Negative charged surface: 303.04  Volume: 306.75
  Hydrophobic surface: 479.728  Hydrophilic surface: 91.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.