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PUBCHEM-ZINC05501048

 MMsINC code: MMs03288592
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(N(CC)C1CCCCC1)C(CC)(C)C
InChI:   InChI=1/C14H27NO/c1-5-14(3,4)13(16)15(6-2)12-10-8-7-9-11-12/h12H,5-11H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.5509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -2.58336  SlogP: 3.6038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222635  Sterimol/B1: 3.1699  Sterimol/B2: 3.53924  Sterimol/B3: 3.88203
  Sterimol/B4: 6.61029  Sterimol/L: 12.3809 
 
 Surface and Volume Properties
  Accessible surface: 448.111  Positive charged surface: 329.591  Negative charged surface: 118.52  Volume: 254.5
  Hydrophobic surface: 364.165  Hydrophilic surface: 83.946
 
 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.