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ASINEX-ZINC00271613

 MMsINC code: MMs00104701
Type: Neutral
Formula: C8H9Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(C)C
InChI:   InChI=1/C8H9Cl2NO2S/c1-11(2)14(12,13)8-5-6(9)3-4-7(8)10/h3-5H,1-2H3

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Potential Energy
Epot(MMFF94)=24.7637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.137 g/mol  logS: -2.76702  SlogP: 2.2437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144477  Sterimol/B1: 3.24212  Sterimol/B2: 3.49692  Sterimol/B3: 4.12153
  Sterimol/B4: 5.24587  Sterimol/L: 10.9976 
 
 Surface and Volume Properties
  Accessible surface: 400.582  Positive charged surface: 191.875  Negative charged surface: 208.707  Volume: 198.375
  Hydrophobic surface: 346.269  Hydrophilic surface: 54.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.