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NCID-ZINC01724573

 MMsINC code: MMs02348565
Type: Neutral
Formula: C6H9ClN4O4S2
SMILES:   Clc1ccc(S(=O)(=O)NN)cc1S(=O)(=O)NN
InChI:   InChI=1/C6H9ClN4O4S2/c7-5-2-1-4(16(12,13)10-8)3-6(5)17(14,15)11-9/h1-3,10-11H,8-9H2

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Potential Energy
Epot(MMFF94)=105.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.747 g/mol  logS: -2.53225  SlogP: -1.356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148522  Sterimol/B1: 2.8314  Sterimol/B2: 3.01756  Sterimol/B3: 3.82624
  Sterimol/B4: 5.73957  Sterimol/L: 11.2981 
 
 Surface and Volume Properties
  Accessible surface: 429.041  Positive charged surface: 193.922  Negative charged surface: 235.119  Volume: 208.5
  Hydrophobic surface: 129.63  Hydrophilic surface: 299.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.