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NCID-ZINC05064268

 MMsINC code: MMs02435670
Type: Neutral
Formula: C7H10N4
SMILES:   N(/N)=C(/NN)\c1ccccc1
InChI:   InChI=1/C7H10N4/c8-10-7(11-9)6-4-2-1-3-5-6/h1-5H,8-9H2,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.13 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.185 g/mol  logS: -1.79762  SlogP: -0.2298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597108  Sterimol/B1: 2.58199  Sterimol/B2: 2.68295  Sterimol/B3: 3.40153
  Sterimol/B4: 5.09978  Sterimol/L: 10.9797 
 
 Surface and Volume Properties
  Accessible surface: 342.781  Positive charged surface: 219.175  Negative charged surface: 123.606  Volume: 148.375
  Hydrophobic surface: 173.591  Hydrophilic surface: 169.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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: no related molecules available.