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PUBCHEM-ZINC05964835

 MMsINC code: MMs03465216
Type: Neutral
Formula: C6H14N2-2
SMILES:   [NH-]C(CC)(CC)C[NH-]
InChI:   InChI=1/C6H14N2/c1-3-6(8,4-2)5-7/h7-8H,3-5H2,1-2H3/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.5417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.192 g/mol  logS: -0.08  SlogP: 1.111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301402  Sterimol/B1: 2.96368  Sterimol/B2: 3.39047  Sterimol/B3: 3.49365
  Sterimol/B4: 4.60515  Sterimol/L: 9.35683 
 
 Surface and Volume Properties
  Accessible surface: 304.31  Positive charged surface: 207.846  Negative charged surface: 96.4643  Volume: 135.75
  Hydrophobic surface: 175.836  Hydrophilic surface: 128.474
 
 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.