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ASINEX-ZINC05003484

 MMsINC code: MMs00432985
Type: Ionized
Formula: C6H18N10+2
SMILES:   [NH2+]=C(NC(NCCNC(NC(=[NH2+])N)=N)=N)N
InChI:   InChI=1/C6H16N10/c7-3(8)15-5(11)13-1-2-14-6(12)16-4(9)10/h1-2H2,(H6,7,8,11,13,15)(H6,9,10,12,14,16)/p+2

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Potential Energy
Epot(MMFF94)=-232.17 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.28 g/mol  logS: -1.04142  SlogP: -6.63806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237772  Sterimol/B1: 2.25642  Sterimol/B2: 3.03407  Sterimol/B3: 3.51851
  Sterimol/B4: 3.55339  Sterimol/L: 16.9838 
 
 Surface and Volume Properties
  Accessible surface: 480.536  Positive charged surface: 402.715  Negative charged surface: 77.8205  Volume: 216.125
  Hydrophobic surface: 53.5063  Hydrophilic surface: 427.0297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 6
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Parent related molecule:


MMs00432983
ASINEX-ZINC05003484