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NCID-ZINC02383126

 MMsINC code: MMs02380185
Type: Neutral
Formula: C5H7N6+
SMILES:   [nH+]1c2ncnc(NN)c2[nH]c1
InChI:   InChI=1/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11)/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.153 g/mol  logS: -1.45962  SlogP: -0.9424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117128  Sterimol/B1: 2.126  Sterimol/B2: 2.16573  Sterimol/B3: 2.69318
  Sterimol/B4: 5.70444  Sterimol/L: 10.172 
 
 Surface and Volume Properties
  Accessible surface: 320.589  Positive charged surface: 261.989  Negative charged surface: 58.6  Volume: 132.875
  Hydrophobic surface: 45.531  Hydrophilic surface: 275.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02380186
NCID-ZINC02383126