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PUBCHEM-ZINC05848535

 MMsINC code: MMs03415276
Type: Neutral
Formula: C6H16N2
SMILES:   N(N(C)C)(CC)CC
InChI:   InChI=1/C6H16N2/c1-5-8(6-2)7(3)4/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: 0.32122  SlogP: 0.8048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.346447  Sterimol/B1: 2.788  Sterimol/B2: 2.80409  Sterimol/B3: 4.12627
  Sterimol/B4: 5.0905  Sterimol/L: 9.3742 
 
 Surface and Volume Properties
  Accessible surface: 319.739  Positive charged surface: 277.246  Negative charged surface: 42.4927  Volume: 142.25
  Hydrophobic surface: 277.246  Hydrophilic surface: 42.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.