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PUBCHEM-ZINC06161137

 MMsINC code: MMs03572403
Type: Neutral
Formula: C5H7N5OS
SMILES:   S=C(Nc1nc[nH]c1C(=O)N)N
InChI:   InChI=1/C5H7N5OS/c6-3(11)2-4(9-1-8-2)10-5(7)12/h1H,(H2,6,11)(H,8,9)(H3,7,10,12)

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Potential Energy
Epot(MMFF94)=-1.31072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.211 g/mol  logS: -1.88977  SlogP: -0.8359  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.70063e-08  Sterimol/B1: 2.33231  Sterimol/B2: 2.33369  Sterimol/B3: 2.53313
  Sterimol/B4: 6.20986  Sterimol/L: 10.7368 
 
 Surface and Volume Properties
  Accessible surface: 342.129  Positive charged surface: 224.994  Negative charged surface: 117.135  Volume: 149.875
  Hydrophobic surface: 59.9651  Hydrophilic surface: 282.1639
 
 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: no related molecules available.