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PUBCHEM-ZINC05501155

 MMsINC code: MMs03288669
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NCCC(C)C)C(CC)(C)C
InChI:   InChI=1/C11H23NO/c1-6-11(4,5)10(13)12-8-7-9(2)3/h9H,6-8H2,1-5H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.45042  SlogP: 2.5849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739974  Sterimol/B1: 3.09874  Sterimol/B2: 3.21897  Sterimol/B3: 3.58074
  Sterimol/B4: 3.90687  Sterimol/L: 14.543 
 
 Surface and Volume Properties
  Accessible surface: 446.43  Positive charged surface: 319.842  Negative charged surface: 126.589  Volume: 217.625
  Hydrophobic surface: 320.246  Hydrophilic surface: 126.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.