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PUBCHEM-ZINC06691160

 MMsINC code: MMs03838646
Type: Neutral
Formula: C6H7N3O3S
SMILES:   S=C1NC(=O)C(CNC=O)C(=O)N1
InChI:   InChI=1/C6H7N3O3S/c10-2-7-1-3-4(11)8-6(13)9-5(3)12/h2-3H,1H2,(H,7,10)(H2,8,9,11,12,13)

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Potential Energy
Epot(MMFF94)=-27.341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.206 g/mol  logS: -1.6064  SlogP: -2.1205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926238  Sterimol/B1: 3.09934  Sterimol/B2: 3.37079  Sterimol/B3: 3.62207
  Sterimol/B4: 4.4333  Sterimol/L: 12.1732 
 
 Surface and Volume Properties
  Accessible surface: 359.333  Positive charged surface: 192.297  Negative charged surface: 167.036  Volume: 158.625
  Hydrophobic surface: 69.9139  Hydrophilic surface: 289.4191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.