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PUBCHEM-ZINC05828101

 MMsINC code: MMs03403661
Type: Neutral
Formula: C5H10N4S2
SMILES:   S(C\C=C\SC(N)=N)C(N)=N
InChI:   InChI=1/C5H10N4S2/c6-4(7)10-2-1-3-11-5(8)9/h1-2H,3H2,(H3,6,7)(H3,8,9)/b2-1+

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Potential Energy
Epot(MMFF94)=-34.7071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.295 g/mol  logS: -2.91743  SlogP: 0.75344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443666  Sterimol/B1: 2.40859  Sterimol/B2: 3.26014  Sterimol/B3: 3.81642
  Sterimol/B4: 3.87453  Sterimol/L: 14.0536 
 
 Surface and Volume Properties
  Accessible surface: 398.537  Positive charged surface: 239.408  Negative charged surface: 159.128  Volume: 168.5
  Hydrophobic surface: 64.2341  Hydrophilic surface: 334.3029
 
 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.