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CHEMSTAR-ZINC02813452

 MMsINC code: MMs01082480
Type: Neutral
Formula: C14H20ClNO2S2
SMILES:   Clc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1
InChI:   InChI=1/C14H20ClNO2S2/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2

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Potential Energy
Epot(MMFF94)=18.7883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.904 g/mol  logS: -4.42017  SlogP: 3.6842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829419  Sterimol/B1: 2.95107  Sterimol/B2: 4.32941  Sterimol/B3: 4.9923
  Sterimol/B4: 5.67065  Sterimol/L: 16.8187 
 
 Surface and Volume Properties
  Accessible surface: 562.568  Positive charged surface: 311.645  Negative charged surface: 250.923  Volume: 297.375
  Hydrophobic surface: 451.978  Hydrophilic surface: 110.59
 
 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.