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PUBCHEM-ZINC06581638

 MMsINC code: MMs03807721
Type: Neutral
Formula: C17H13Cl2NO3S
SMILES:   Clc1cc(Cl)ccc1C(O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChI:   InChI=1/C17H13Cl2NO3S/c18-13-6-7-15(16(19)10-13)17(21)12-8-9-20(11-12)24(22,23)14-4-2-1-3-5-14/h1-11,17,21H/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=90.1919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.267 g/mol  logS: -4.77656  SlogP: 4.2091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883899  Sterimol/B1: 3.23051  Sterimol/B2: 4.26415  Sterimol/B3: 4.55903
  Sterimol/B4: 5.52796  Sterimol/L: 17.2829 
 
 Surface and Volume Properties
  Accessible surface: 573.455  Positive charged surface: 209.747  Negative charged surface: 363.707  Volume: 315.75
  Hydrophobic surface: 456.298  Hydrophilic surface: 117.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.