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ALFAAESAR-ZINC01685100

 MMsINC code: MMs00021833
Type: Neutral
Formula: C14H29NO
SMILES:   O=C(N(CCCCCC)CCCCCC)C
InChI:   InChI=1/C14H29NO/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4-13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.66302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -3.81376  SlogP: 3.9955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435047  Sterimol/B1: 2.39921  Sterimol/B2: 2.48574  Sterimol/B3: 3.7722
  Sterimol/B4: 7.14409  Sterimol/L: 18.0654 
 
 Surface and Volume Properties
  Accessible surface: 551.979  Positive charged surface: 428.532  Negative charged surface: 123.447  Volume: 274.75
  Hydrophobic surface: 470.758  Hydrophilic surface: 81.221
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.