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PUBCHEM-ZINC06019515

 MMsINC code: MMs03494836
Type: Neutral
Formula: C7H6N4O5S
SMILES:   S(ON1c2nccnc2C(=O)NC1=O)(=O)(=O)C
InChI:   InChI=1/C7H6N4O5S/c1-17(14,15)16-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h2-3H,1H3,(H,10,12,13)

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Potential Energy
Epot(MMFF94)=69.8106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.214 g/mol  logS: -0.25746  SlogP: -0.9624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607547  Sterimol/B1: 2.3464  Sterimol/B2: 3.40159  Sterimol/B3: 4.16173
  Sterimol/B4: 5.13753  Sterimol/L: 11.3994 
 
 Surface and Volume Properties
  Accessible surface: 385.218  Positive charged surface: 214.093  Negative charged surface: 171.125  Volume: 184.625
  Hydrophobic surface: 163.224  Hydrophilic surface: 221.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.