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PUBCHEM-ZINC03047730

 MMsINC code: MMs02985840
Type: Neutral
Formula: C6H14N2O
SMILES:   O=C(NCCCCC)N
InChI:   InChI=1/C6H14N2O/c1-2-3-4-5-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)

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Potential Energy
Epot(MMFF94)=-31.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.191 g/mol  logS: -1.26974  SlogP: 0.8449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381209  Sterimol/B1: 2.37521  Sterimol/B2: 2.37528  Sterimol/B3: 2.91314
  Sterimol/B4: 3.16395  Sterimol/L: 13.0606 
 
 Surface and Volume Properties
  Accessible surface: 351.145  Positive charged surface: 273.787  Negative charged surface: 77.3577  Volume: 142.75
  Hydrophobic surface: 196.091  Hydrophilic surface: 155.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.