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NCID-ZINC01666498

 MMsINC code: MMs02302705
Type: Neutral
Formula: C7H10N5+
SMILES:   [NH2+]=C1N(C=Nc2n(ncc12)C)C
InChI:   InChI=1/C7H9N5/c1-11-4-9-7-5(6(11)8)3-10-12(7)2/h3-4,8H,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=0.0989926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.192 g/mol  logS: -0.79942  SlogP: -1.1098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023651  Sterimol/B1: 2.38276  Sterimol/B2: 2.38342  Sterimol/B3: 3.75247
  Sterimol/B4: 4.87048  Sterimol/L: 10.603 
 
 Surface and Volume Properties
  Accessible surface: 349.345  Positive charged surface: 294.119  Negative charged surface: 55.2256  Volume: 158.75
  Hydrophobic surface: 212.522  Hydrophilic surface: 136.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs02302706
NCID-ZINC01666498