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ACROSORGANICS-ZINC01666585

 MMsINC code: MMs00010416
Type: Neutral
Formula: C4H6N4O2
SMILES:   O=C1NC(=O)NC(N)=C1N
InChI:   InChI=1/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.956913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.118 g/mol  logS: -0.21608  SlogP: -2.0877  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.91217e-06  Sterimol/B1: 2.097  Sterimol/B2: 2.09873  Sterimol/B3: 3.70637
  Sterimol/B4: 4.3937  Sterimol/L: 8.62808 
 
 Surface and Volume Properties
  Accessible surface: 278.684  Positive charged surface: 184.925  Negative charged surface: 93.759  Volume: 112.5
  Hydrophobic surface: 8.78607  Hydrophilic surface: 269.89793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.