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ENAMINE-ZINC03440430

 MMsINC code: MMs01443711
Type: Neutral
Formula: C13H10Cl3NO2S
SMILES:   Clc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C13H10Cl3NO2S/c14-10-3-5-12(6-4-10)20(18,19)17-8-9-1-2-11(15)7-13(9)16/h1-7,17H,8H2

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Potential Energy
Epot(MMFF94)=15.6639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.653 g/mol  logS: -5.19363  SlogP: 4.3917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100196  Sterimol/B1: 2.499  Sterimol/B2: 4.41507  Sterimol/B3: 4.41747
  Sterimol/B4: 5.09955  Sterimol/L: 16.3461 
 
 Surface and Volume Properties
  Accessible surface: 521.639  Positive charged surface: 170.406  Negative charged surface: 351.233  Volume: 274.75
  Hydrophobic surface: 444.644  Hydrophilic surface: 76.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.