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NCID-ZINC01718239

 MMsINC code: MMs02343614
Type: Neutral
Formula: C6H10N4O2S
SMILES:   S(=O)(=O)(Nc1ncccn1)N(C)C
InChI:   InChI=1/C6H10N4O2S/c1-10(2)13(11,12)9-6-7-4-3-5-8-6/h3-5H,1-2H3,(H,7,8,9)

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Potential Energy
Epot(MMFF94)=-44.9318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.238 g/mol  logS: -0.50033  SlogP: -0.3051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172913  Sterimol/B1: 2.09088  Sterimol/B2: 3.2714  Sterimol/B3: 4.10432
  Sterimol/B4: 5.48707  Sterimol/L: 10.9197 
 
 Surface and Volume Properties
  Accessible surface: 368.157  Positive charged surface: 274.633  Negative charged surface: 93.524  Volume: 169.5
  Hydrophobic surface: 257.042  Hydrophilic surface: 111.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.