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ENAMINE-ZINC02631888

 MMsINC code: MMs01262880
Type: Neutral
Formula: C11H9Cl2NO2S2
SMILES:   Clc1cc(ccc1NS(=O)(=O)c1sc(Cl)cc1)C
InChI:   InChI=1/C11H9Cl2NO2S2/c1-7-2-3-9(8(12)6-7)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3

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Potential Energy
Epot(MMFF94)=46.9483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.236 g/mol  logS: -5.26549  SlogP: 4.16412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186222  Sterimol/B1: 4.07015  Sterimol/B2: 4.73583  Sterimol/B3: 5.02956
  Sterimol/B4: 5.49985  Sterimol/L: 12.2497 
 
 Surface and Volume Properties
  Accessible surface: 479.596  Positive charged surface: 168.606  Negative charged surface: 310.99  Volume: 250.25
  Hydrophobic surface: 401.818  Hydrophilic surface: 77.778
 
 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.