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ACROSORGANICS-ZINC01576907

 MMsINC code: MMs00009375
Type: Neutral
Formula: C6H8N2O3S
SMILES:   S(O)(=O)(=O)c1ccc(NN)cc1
InChI:   InChI=1/C6H8N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=37.0575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.207 g/mol  logS: -1.13576  SlogP: -0.3468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336763  Sterimol/B1: 2.47388  Sterimol/B2: 2.68303  Sterimol/B3: 2.92244
  Sterimol/B4: 5.00842  Sterimol/L: 11.7849 
 
 Surface and Volume Properties
  Accessible surface: 348.831  Positive charged surface: 177.269  Negative charged surface: 171.562  Volume: 150.125
  Hydrophobic surface: 136.908  Hydrophilic surface: 211.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00009376
ACROSORGANICS-ZINC01576907