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PUBCHEM-ZINC03650029

 MMsINC code: MMs03033698
Type: Neutral
Formula: C11H26N2
SMILES:   N(CCCCCCCN(C)C)(C)C
InChI:   InChI=1/C11H26N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -0.70862  SlogP: 2.0601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279417  Sterimol/B1: 2.47388  Sterimol/B2: 2.79166  Sterimol/B3: 2.90287
  Sterimol/B4: 4.20343  Sterimol/L: 17.0299 
 
 Surface and Volume Properties
  Accessible surface: 485.202  Positive charged surface: 466.374  Negative charged surface: 18.8281  Volume: 230.25
  Hydrophobic surface: 479.388  Hydrophilic surface: 5.814
 
 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


MMs03033699
PUBCHEM-ZINC03650029