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LOPAC-ZINC00001735

 MMsINC code: MMs02125281
Type: Neutral
Formula: C9H15N5O
SMILES:   [O-][n+]1c(N)cc(nc1N)N1CCCCC1
InChI:   InChI=1/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)

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Potential Energy
Epot(MMFF94)=92.5106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.253 g/mol  logS: -1.96861  SlogP: -0.1303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540306  Sterimol/B1: 2.81816  Sterimol/B2: 3.14117  Sterimol/B3: 3.36217
  Sterimol/B4: 5.76392  Sterimol/L: 12.5694 
 
 Surface and Volume Properties
  Accessible surface: 404.166  Positive charged surface: 310.109  Negative charged surface: 94.0573  Volume: 197.75
  Hydrophobic surface: 224.004  Hydrophilic surface: 180.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.