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NCID-ZINC01673371

 MMsINC code: MMs02309277
Type: Neutral
Formula: C8H14N6
SMILES:   n1c(nc(nc1N)N)N1CCCCC1
InChI:   InChI=1/C8H14N6/c9-6-11-7(10)13-8(12-6)14-4-2-1-3-5-14/h1-5H2,(H4,9,10,11,12,13)

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Potential Energy
Epot(MMFF94)=-42.0195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.242 g/mol  logS: -2.37874  SlogP: 0.0263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599415  Sterimol/B1: 2.69317  Sterimol/B2: 3.46805  Sterimol/B3: 4.44268
  Sterimol/B4: 4.46217  Sterimol/L: 11.7966 
 
 Surface and Volume Properties
  Accessible surface: 402.465  Positive charged surface: 333.045  Negative charged surface: 69.4199  Volume: 185.125
  Hydrophobic surface: 191.706  Hydrophilic surface: 210.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.