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CHEMBLOCK-ZINC02192666

 MMsINC code: MMs00530400
Type: Neutral
Formula: C7H8N6OS2
SMILES:   s1ccnc1NC(=O)CN1N=CN(N)C1=S
InChI:   InChI=1/C7H8N6OS2/c8-12-4-10-13(7(12)15)3-5(14)11-6-9-1-2-16-6/h1-2,4H,3,8H2,(H,9,11,14)

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Potential Energy
Epot(MMFF94)=78.1347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.314 g/mol  logS: -2.82015  SlogP: -0.1989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665527  Sterimol/B1: 2.54966  Sterimol/B2: 3.3272  Sterimol/B3: 4.89961
  Sterimol/B4: 5.37433  Sterimol/L: 14.2223 
 
 Surface and Volume Properties
  Accessible surface: 443.298  Positive charged surface: 251.227  Negative charged surface: 192.071  Volume: 207.125
  Hydrophobic surface: 197.067  Hydrophilic surface: 246.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.