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PUBCHEM-ZINC05828559

 MMsINC code: MMs03404004
Type: Neutral
Formula: C6H14N2-2
SMILES:   [NH-]CCCCCC[NH-]
InChI:   InChI=1/C6H14N2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.1053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.192 g/mol  logS: 0.17088  SlogP: 1.1126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549562  Sterimol/B1: 2.28492  Sterimol/B2: 2.37488  Sterimol/B3: 2.37582
  Sterimol/B4: 3.10605  Sterimol/L: 12.9402 
 
 Surface and Volume Properties
  Accessible surface: 337.796  Positive charged surface: 246.314  Negative charged surface: 91.4823  Volume: 138.375
  Hydrophobic surface: 220.102  Hydrophilic surface: 117.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.