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NCID-ZINC01684943

 MMsINC code: MMs02318229
Type: Neutral
Formula: C4H6N4O2S
SMILES:   S(O)(=O)c1nc(N)cc(n1)N
InChI:   InChI=1/C4H6N4O2S/c5-2-1-3(6)8-4(7-2)11(9)10/h1H,(H,9,10)(H4,5,6,7,8)

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Potential Energy
Epot(MMFF94)=19.1396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.184 g/mol  logS: -1.15331  SlogP: -1.3441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362143  Sterimol/B1: 2.40456  Sterimol/B2: 3.17935  Sterimol/B3: 4.17454
  Sterimol/B4: 4.52581  Sterimol/L: 10.2431 
 
 Surface and Volume Properties
  Accessible surface: 326.054  Positive charged surface: 215.474  Negative charged surface: 110.58  Volume: 132.125
  Hydrophobic surface: 30.3543  Hydrophilic surface: 295.6997
 
 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


MMs02318230
NCID-ZINC01684943