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PUBCHEM-ZINC05829326

 MMsINC code: MMs03404491
Type: Neutral
Formula: C6H14N2O2-2
SMILES:   OCC[N-]CC[N-]CCO
InChI:   InChI=1/C6H14N2O2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: 1.23188  SlogP: -0.2816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485276  Sterimol/B1: 2.3227  Sterimol/B2: 2.37553  Sterimol/B3: 3.00006
  Sterimol/B4: 3.32722  Sterimol/L: 13.2488 
 
 Surface and Volume Properties
  Accessible surface: 389.982  Positive charged surface: 306.064  Negative charged surface: 83.9171  Volume: 153.25
  Hydrophobic surface: 267.611  Hydrophilic surface: 122.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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.