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PUBCHEM-ZINC05503385

 MMsINC code: MMs03290127
Type: Neutral
Formula: C14H29NO
SMILES:   O=C(N(CCCC)CCCC)C(CC)(C)C
InChI:   InChI=1/C14H29NO/c1-6-9-11-15(12-10-7-2)13(16)14(4,5)8-3/h6-12H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -2.87341  SlogP: 3.8514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124915  Sterimol/B1: 2.93742  Sterimol/B2: 3.76662  Sterimol/B3: 5.00609
  Sterimol/B4: 7.03506  Sterimol/L: 13.2395 
 
 Surface and Volume Properties
  Accessible surface: 504.523  Positive charged surface: 372.791  Negative charged surface: 131.732  Volume: 268.125
  Hydrophobic surface: 392.554  Hydrophilic surface: 111.969
 
 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.