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PUBCHEM-ZINC04876859

 MMsINC code: MMs03180844
Type: Neutral
Formula: C10H6N8S2
SMILES:   S(Sc1ncnc2[nH]cnc12)c1ncnc2[nH]cnc12
InChI:   InChI=1/C10H6N8S2/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)

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Potential Energy
Epot(MMFF94)=47.0562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.346 g/mol  logS: -6.13058  SlogP: 1.8186  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0605352  Sterimol/B1: 2.50325  Sterimol/B2: 3.68012  Sterimol/B3: 3.94849
  Sterimol/B4: 5.34872  Sterimol/L: 13.3613 
 
 Surface and Volume Properties
  Accessible surface: 448.545  Positive charged surface: 299.935  Negative charged surface: 148.61  Volume: 236
  Hydrophobic surface: 251.876  Hydrophilic surface: 196.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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.