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ALFAAESAR-ZINC02169001

 MMsINC code: MMs00022768
Type: Neutral
Formula: C5H4N4OS2
SMILES:   SC=1NC(=O)c2[nH]c(S)nc2N=1
InChI:   InChI=1/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

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Potential Energy
Epot(MMFF94)=-18.7982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.246 g/mol  logS: -3.92399  SlogP: 0.3591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144396  Sterimol/B1: 2.37264  Sterimol/B2: 2.48852  Sterimol/B3: 3.83843
  Sterimol/B4: 4.29129  Sterimol/L: 12.1612 
 
 Surface and Volume Properties
  Accessible surface: 351.807  Positive charged surface: 157.116  Negative charged surface: 194.691  Volume: 150.25
  Hydrophobic surface: 58.33  Hydrophilic surface: 293.477
 
 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: no related molecules available.