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NCID-ZINC01711286

 MMsINC code: MMs02338356
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(N(CC)CC)CCCC1CCCCC1
InChI:   InChI=1/C14H27NO/c1-3-15(4-2)14(16)12-8-11-13-9-6-5-7-10-13/h13H,3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.8841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -4.02517  SlogP: 3.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464513  Sterimol/B1: 2.35685  Sterimol/B2: 2.83132  Sterimol/B3: 3.14397
  Sterimol/B4: 6.49189  Sterimol/L: 14.9986 
 
 Surface and Volume Properties
  Accessible surface: 502.109  Positive charged surface: 396.925  Negative charged surface: 105.184  Volume: 261.5
  Hydrophobic surface: 432.899  Hydrophilic surface: 69.21
 
 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.