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NCID-ZINC04991663

 MMsINC code: MMs02425370
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)=-13.7585 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: 0.050371  Sterimol/B1: 1.73263  Sterimol/B2: 2.30177  Sterimol/B3: 4.29851
  Sterimol/B4: 5.82801  Sterimol/L: 12.836 
 
 Surface and Volume Properties
  Accessible surface: 386.117  Positive charged surface: 223.588  Negative charged surface: 162.529  Volume: 165.5
  Hydrophobic surface: 64.4203  Hydrophilic surface: 321.6967
 
 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.