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PUBCHEM-ZINC05820187

 MMsINC code: MMs03399214
Type: Neutral
Formula: C6H16N2
SMILES:   NC(N)CCCCC
InChI:   InChI=1/C6H16N2/c1-2-3-4-5-6(7)8/h6H,2-5,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=-29.8527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: -0.92863  SlogP: 0.8102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766067  Sterimol/B1: 2.60667  Sterimol/B2: 2.86854  Sterimol/B3: 3.03877
  Sterimol/B4: 3.63957  Sterimol/L: 11.9378 
 
 Surface and Volume Properties
  Accessible surface: 338.971  Positive charged surface: 273.543  Negative charged surface: 65.4284  Volume: 142.875
  Hydrophobic surface: 197.728  Hydrophilic surface: 141.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03399215
PUBCHEM-ZINC05820187