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ENAMINE-ZINC03247792

 MMsINC code: MMs01328864
Type: Neutral
Formula: C10H8N4S3
SMILES:   s1c(nnc1SCc1sc2c(n1)cccc2)N
InChI:   InChI=1/C10H8N4S3/c11-9-13-14-10(17-9)15-5-8-12-6-3-1-2-4-7(6)16-8/h1-4H,5H2,(H2,11,13)

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Potential Energy
Epot(MMFF94)=27.0685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.4 g/mol  logS: -4.95194  SlogP: 3.2887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219204  Sterimol/B1: 2.95272  Sterimol/B2: 2.9683  Sterimol/B3: 3.54872
  Sterimol/B4: 4.94652  Sterimol/L: 17.0471 
 
 Surface and Volume Properties
  Accessible surface: 481.192  Positive charged surface: 222.456  Negative charged surface: 258.735  Volume: 232.125
  Hydrophobic surface: 290.749  Hydrophilic surface: 190.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.