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PUBCHEM-ZINC05838255

 MMsINC code: MMs03409270
Type: Neutral
Formula: C10H15N5S
SMILES:   S(CCCC)c1nc(N)c2c(n1)n(nc2)C
InChI:   InChI=1/C10H15N5S/c1-3-4-5-16-10-13-8(11)7-6-12-15(2)9(7)14-10/h6H,3-5H2,1-2H3,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=13.5537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.331 g/mol  logS: -3.92845  SlogP: 2.1969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167467  Sterimol/B1: 2.37573  Sterimol/B2: 2.51125  Sterimol/B3: 3.95865
  Sterimol/B4: 5.21758  Sterimol/L: 15.4225 
 
 Surface and Volume Properties
  Accessible surface: 483.995  Positive charged surface: 363.956  Negative charged surface: 113.787  Volume: 226.25
  Hydrophobic surface: 306.35  Hydrophilic surface: 177.645
 
 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.