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PUBCHEM-ZINC05567169

 MMsINC code: MMs03308902
Type: Neutral
Formula: C6H10N6S2
SMILES:   s1cc(nc1N=C(N)N)CSC(N)=N
InChI:   InChI=1/C6H10N6S2/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10/h2H,1H2,(H3,9,10)(H4,7,8,11,12)

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Potential Energy
Epot(MMFF94)=-32.2358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.32 g/mol  logS: -2.85995  SlogP: 0.44107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067076  Sterimol/B1: 2.31836  Sterimol/B2: 2.34316  Sterimol/B3: 3.88352
  Sterimol/B4: 5.75104  Sterimol/L: 13.6667 
 
 Surface and Volume Properties
  Accessible surface: 430.41  Positive charged surface: 259.698  Negative charged surface: 170.712  Volume: 194.625
  Hydrophobic surface: 114.223  Hydrophilic surface: 316.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03308903
PUBCHEM-ZINC05567169