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ACROSORGANICS-ZINC00066101

 MMsINC code: MMs00003675
Type: Neutral
Formula: C7H10N5+
SMILES:   [nH+]1c2ncnc(N(C)C)c2[nH]c1
InChI:   InChI=1/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)/p+1

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Potential Energy
Epot(MMFF94)=15.7818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.192 g/mol  logS: -1.68622  SlogP: -0.162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283955  Sterimol/B1: 2.37861  Sterimol/B2: 2.37982  Sterimol/B3: 4.25835
  Sterimol/B4: 4.56499  Sterimol/L: 10.5639 
 
 Surface and Volume Properties
  Accessible surface: 347.208  Positive charged surface: 319.092  Negative charged surface: 28.1161  Volume: 160.75
  Hydrophobic surface: 184.55  Hydrophilic surface: 162.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 3
  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


MMs00003676
ACROSORGANICS-ZINC00066101