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ENAMINE-ZINC03267170

 MMsINC code: MMs01340234
Type: Neutral
Formula: C10H8N4OS2
SMILES:   S1c2c(-n3c1nnc3SCC(=O)N)cccc2
InChI:   InChI=1/C10H8N4OS2/c11-8(15)5-16-9-12-13-10-14(9)6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H2,11,15)

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Potential Energy
Epot(MMFF94)=54.5185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.333 g/mol  logS: -4.80874  SlogP: 1.3093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00518532  Sterimol/B1: 2.37402  Sterimol/B2: 2.37608  Sterimol/B3: 2.56209
  Sterimol/B4: 6.9098  Sterimol/L: 14.2121 
 
 Surface and Volume Properties
  Accessible surface: 441.177  Positive charged surface: 207.498  Negative charged surface: 233.68  Volume: 220.25
  Hydrophobic surface: 241.25  Hydrophilic surface: 199.927
 
 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.