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PUBCHEM-ZINC06292532

 MMsINC code: MMs03659969
Type: Neutral
Formula: C6H16N2O4
SMILES:   O(CCOCCON)CCON
InChI:   InChI=1/C6H16N2O4/c7-11-5-3-9-1-2-10-4-6-12-8/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.204 g/mol  logS: -0.33294  SlogP: -1.1998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116317  Sterimol/B1: 2.3967  Sterimol/B2: 3.08541  Sterimol/B3: 4.03016
  Sterimol/B4: 5.49167  Sterimol/L: 13.485 
 
 Surface and Volume Properties
  Accessible surface: 447.357  Positive charged surface: 376.918  Negative charged surface: 70.4387  Volume: 175.875
  Hydrophobic surface: 284.685  Hydrophilic surface: 162.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.