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ASINEX-ZINC00288090

 MMsINC code: MMs00109637
Type: Neutral
Formula: C11H15Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NC(CCC)C
InChI:   InChI=1/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)11-7-9(12)5-6-10(11)13/h5-8,14H,3-4H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.839566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.218 g/mol  logS: -4.06285  SlogP: 3.4603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138421  Sterimol/B1: 3.84957  Sterimol/B2: 4.04391  Sterimol/B3: 4.08476
  Sterimol/B4: 4.67553  Sterimol/L: 13.7438 
 
 Surface and Volume Properties
  Accessible surface: 476.326  Positive charged surface: 220.762  Negative charged surface: 255.564  Volume: 251.625
  Hydrophobic surface: 372.209  Hydrophilic surface: 104.117
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.