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ENAMINE-ZINC03267662

 MMsINC code: MMs01340452
Type: Neutral
Formula: C8H11ClN2O4S2
SMILES:   Clc1ccc(S(=O)(=O)NC)cc1S(=O)(=O)NC
InChI:   InChI=1/C8H11ClN2O4S2/c1-10-16(12,13)6-3-4-7(9)8(5-6)17(14,15)11-2/h3-5,10-11H,1-2H3

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Potential Energy
Epot(MMFF94)=-15.1046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.771 g/mol  logS: -1.79513  SlogP: 0.1562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167209  Sterimol/B1: 2.68613  Sterimol/B2: 3.39154  Sterimol/B3: 4.74902
  Sterimol/B4: 6.33048  Sterimol/L: 11.8973 
 
 Surface and Volume Properties
  Accessible surface: 444.812  Positive charged surface: 241.241  Negative charged surface: 203.571  Volume: 225.375
  Hydrophobic surface: 274.426  Hydrophilic surface: 170.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.