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ASINEX-ZINC01794265

 MMsINC code: MMs00257662
Type: Neutral
Formula: C9H11Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCCC
InChI:   InChI=1/C9H11Cl2NO2S/c1-2-5-12-15(13,14)9-6-7(10)3-4-8(9)11/h3-4,6,12H,2,5H2,1H3

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Potential Energy
Epot(MMFF94)=26.0206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.164 g/mol  logS: -3.22042  SlogP: 2.6817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088311  Sterimol/B1: 3.09877  Sterimol/B2: 3.23382  Sterimol/B3: 4.28256
  Sterimol/B4: 5.83573  Sterimol/L: 13.5466 
 
 Surface and Volume Properties
  Accessible surface: 431.909  Positive charged surface: 188.645  Negative charged surface: 243.265  Volume: 212.75
  Hydrophobic surface: 328.082  Hydrophilic surface: 103.827
 
 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.