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NCID-ZINC01761881

 MMsINC code: MMs02367817
Type: Neutral
Formula: C6H8N2O6S2
SMILES:   S(=O)(=O)(NO)c1cc(S(=O)(=O)NO)ccc1
InChI:   InChI=1/C6H8N2O6S2/c9-7-15(11,12)5-2-1-3-6(4-5)16(13,14)8-10/h1-4,7-10H

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Potential Energy
Epot(MMFF94)=60.2791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.27 g/mol  logS: -1.44488  SlogP: -0.9784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179691  Sterimol/B1: 2.41565  Sterimol/B2: 2.83129  Sterimol/B3: 4.51563
  Sterimol/B4: 6.42914  Sterimol/L: 10.9985 
 
 Surface and Volume Properties
  Accessible surface: 416.699  Positive charged surface: 185.222  Negative charged surface: 231.477  Volume: 187.75
  Hydrophobic surface: 117.366  Hydrophilic surface: 299.333
 
 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.