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PUBCHEM-ZINC04800314

 MMsINC code: MMs03173266
Type: Neutral
Formula: C6H14N2
SMILES:   N(N)C1CCCCC1
InChI:   InChI=1/C6H14N2/c7-8-6-4-2-1-3-5-6/h6,8H,1-5,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.192 g/mol  logS: -0.73297  SlogP: 0.7824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245067  Sterimol/B1: 2.53094  Sterimol/B2: 3.59735  Sterimol/B3: 3.83126
  Sterimol/B4: 3.86093  Sterimol/L: 9.3931 
 
 Surface and Volume Properties
  Accessible surface: 299.608  Positive charged surface: 242.995  Negative charged surface: 56.6132  Volume: 129.5
  Hydrophobic surface: 210.827  Hydrophilic surface: 88.781
 
 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: no related molecules available.