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PUBCHEM-ZINC05957509

 MMsINC code: MMs03460353
Type: Neutral
Formula: C20H41N
SMILES:   N(CCCCCCCCCCCCCCCCC=C)(C)C
InChI:   InChI=1/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4H,1,5-20H2,2-3H3

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Potential Energy
Epot(MMFF94)=15.2899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.555 g/mol  logS: -7.39311  SlogP: 6.5855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.010977  Sterimol/B1: 2.08357  Sterimol/B2: 2.53954  Sterimol/B3: 3.39052
  Sterimol/B4: 4.43371  Sterimol/L: 28.02 
 
 Surface and Volume Properties
  Accessible surface: 732.081  Positive charged surface: 628.4  Negative charged surface: 103.681  Volume: 377
  Hydrophobic surface: 678.262  Hydrophilic surface: 53.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03460354
PUBCHEM-ZINC05957509