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ACROSORGANICS-ZINC04658576

 MMsINC code: MMs00018439
Type: Neutral
Formula: C2H8N3+
SMILES:   [NH2+]=C(NC)N
InChI:   InChI=1/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)/p+1

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Potential Energy
Epot(MMFF94)=-68.4747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 74.107 g/mol  logS: 0.11331  SlogP: -2.7204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459181  Sterimol/B1: 2.38922  Sterimol/B2: 2.38987  Sterimol/B3: 2.9442
  Sterimol/B4: 3.26127  Sterimol/L: 8.09027 
 
 Surface and Volume Properties
  Accessible surface: 240.244  Positive charged surface: 218.508  Negative charged surface: 21.7368  Volume: 80.75
  Hydrophobic surface: 83.0321  Hydrophilic surface: 157.2119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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


MMs00018440
ACROSORGANICS-ZINC04658576