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PUBCHEM-ZINC05591204

 MMsINC code: MMs03315829
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(N(CCC)CCC)C(CC)C
InChI:   InChI=1/C11H23NO/c1-5-8-12(9-6-2)11(13)10(4)7-3/h10H,5-9H2,1-4H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.0569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.6412  SlogP: 2.6811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127494  Sterimol/B1: 2.41866  Sterimol/B2: 3.10459  Sterimol/B3: 3.56744
  Sterimol/B4: 7.65382  Sterimol/L: 12.0874 
 
 Surface and Volume Properties
  Accessible surface: 441.465  Positive charged surface: 318.753  Negative charged surface: 122.712  Volume: 218.375
  Hydrophobic surface: 333.611  Hydrophilic surface: 107.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.