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NCID-ZINC04521179

 MMsINC code: MMs02388927
Type: Neutral
Formula: C10H16N4O4
SMILES:   O1CCN(CC1)C(=O)N=NC(=O)N1CCOCC1
InChI:   InChI=1/C10H16N4O4/c15-9(13-1-5-17-6-2-13)11-12-10(16)14-3-7-18-8-4-14/h1-8H2/b12-11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.8602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.262 g/mol  logS: -0.458  SlogP: 0.343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402379  Sterimol/B1: 2.70666  Sterimol/B2: 2.7396  Sterimol/B3: 3.60363
  Sterimol/B4: 5.27382  Sterimol/L: 14.8994 
 
 Surface and Volume Properties
  Accessible surface: 472.6  Positive charged surface: 388.377  Negative charged surface: 84.2232  Volume: 228.125
  Hydrophobic surface: 358.663  Hydrophilic surface: 113.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.