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ASINEX-ZINC01409738

 MMsINC code: MMs00253582
Type: Neutral
Formula: C5H8N4OS
SMILES:   S=C1NC(C(=O)NC)=C(N1)N
InChI:   InChI=1/C5H8N4OS/c1-7-4(10)2-3(6)9-5(11)8-2/h6H2,1H3,(H,7,10)(H2,8,9,11)

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Potential Energy
Epot(MMFF94)=18.0164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.212 g/mol  logS: -1.52662  SlogP: -1.6621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147753  Sterimol/B1: 2.37454  Sterimol/B2: 2.37557  Sterimol/B3: 4.07101
  Sterimol/B4: 5.08462  Sterimol/L: 11.008 
 
 Surface and Volume Properties
  Accessible surface: 343.4  Positive charged surface: 229.573  Negative charged surface: 113.827  Volume: 146.5
  Hydrophobic surface: 97.0526  Hydrophilic surface: 246.3474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.