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NCID-ZINC01563755

 MMsINC code: MMs02225518
Type: Neutral
Formula: C6H10N4O4S2
SMILES:   S(=O)(=O)(NN)c1cc(S(=O)(=O)NN)ccc1
InChI:   InChI=1/C6H10N4O4S2/c7-9-15(11,12)5-2-1-3-6(4-5)16(13,14)10-8/h1-4,9-10H,7-8H2

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Potential Energy
Epot(MMFF94)=95.6639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.302 g/mol  logS: -1.79796  SlogP: -2.0094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19424  Sterimol/B1: 2.37353  Sterimol/B2: 2.58704  Sterimol/B3: 4.79456
  Sterimol/B4: 6.49462  Sterimol/L: 10.9874 
 
 Surface and Volume Properties
  Accessible surface: 416.537  Positive charged surface: 201.618  Negative charged surface: 214.919  Volume: 195.625
  Hydrophobic surface: 109.678  Hydrophilic surface: 306.859
 
 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.