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PUBCHEM-ZINC06581620

 MMsINC code: MMs03807716
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-/m0/s1

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Potential Energy
Epot(MMFF94)=89.3414 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: 0.170273  Sterimol/B1: 3.39276  Sterimol/B2: 3.90705  Sterimol/B3: 5.08934
  Sterimol/B4: 6.80987  Sterimol/L: 12.7431 
 
 Surface and Volume Properties
  Accessible surface: 565.869  Positive charged surface: 209.587  Negative charged surface: 356.281  Volume: 317.75
  Hydrophobic surface: 446.311  Hydrophilic surface: 119.558
 
 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.