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ASINEX-ZINC01603226

 MMsINC code: MMs00255423
Type: Neutral
Formula: C4H10N4O3
SMILES:   O(CC(=O)NN)CC(=O)NN
InChI:   InChI=1/C4H10N4O3/c5-7-3(9)1-11-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.8478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.149 g/mol  logS: -0.25016  SlogP: -3.0172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168598  Sterimol/B1: 2.23379  Sterimol/B2: 2.27713  Sterimol/B3: 2.45563
  Sterimol/B4: 3.84529  Sterimol/L: 13.7796 
 
 Surface and Volume Properties
  Accessible surface: 361.773  Positive charged surface: 258.222  Negative charged surface: 103.551  Volume: 138.625
  Hydrophobic surface: 77.8253  Hydrophilic surface: 283.9477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.