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NCID-ZINC01699092

 MMsINC code: MMs02329299
Type: Neutral
Formula: C11H15N6+
SMILES:   [NH2+]=C(NNC)c1cnn(c1N)-c1ccccc1
InChI:   InChI=1/C11H14N6/c1-14-16-10(12)9-7-15-17(11(9)13)8-5-3-2-4-6-8/h2-7,14H,13H2,1H3,(H2,12,16)/p+1

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Potential Energy
Epot(MMFF94)=80.034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.283 g/mol  logS: -1.59072  SlogP: -1.3158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053103  Sterimol/B1: 2.6633  Sterimol/B2: 3.52093  Sterimol/B3: 3.98038
  Sterimol/B4: 4.21652  Sterimol/L: 15.9084 
 
 Surface and Volume Properties
  Accessible surface: 468.678  Positive charged surface: 334.4  Negative charged surface: 134.278  Volume: 227.625
  Hydrophobic surface: 327.102  Hydrophilic surface: 141.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02329300
NCID-ZINC01699092