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CHEMBRIDGE-ZINC02772452

 MMsINC code: MMs00716161
Type: Neutral
Formula: C14H29NO
SMILES:   O=C(N(CCCC)CCCC)CC(C)(C)C
InChI:   InChI=1/C14H29NO/c1-6-8-10-15(11-9-7-2)13(16)12-14(3,4)5/h6-12H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -3.50031  SlogP: 3.8514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126215  Sterimol/B1: 2.36965  Sterimol/B2: 3.13827  Sterimol/B3: 3.5765
  Sterimol/B4: 10.2551  Sterimol/L: 13.6589 
 
 Surface and Volume Properties
  Accessible surface: 519.261  Positive charged surface: 397.019  Negative charged surface: 122.242  Volume: 270.25
  Hydrophobic surface: 414.271  Hydrophilic surface: 104.99
 
 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.