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PUBCHEM-ZINC01414902

 MMsINC code: MMs02803244
Type: Neutral
Formula: C9H10N4O2
SMILES:   O1C(N)=C(Nc2ccccc2)N(N)C1=O
InChI:   InChI=1/C9H10N4O2/c10-7-8(13(11)9(14)15-7)12-6-4-2-1-3-5-6/h1-5,12H,10-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.7628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.205 g/mol  logS: -2.31991  SlogP: 0.5097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151657  Sterimol/B1: 2.78263  Sterimol/B2: 3.8258  Sterimol/B3: 3.86964
  Sterimol/B4: 4.54591  Sterimol/L: 11.1865 
 
 Surface and Volume Properties
  Accessible surface: 391.686  Positive charged surface: 244.596  Negative charged surface: 147.09  Volume: 185
  Hydrophobic surface: 188.938  Hydrophilic surface: 202.748
 
 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.