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PUBCHEM-ZINC05501135

 MMsINC code: MMs03288657
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(NC1CCCC1)C(CC)(C)C
InChI:   InChI=1/C11H21NO/c1-4-11(2,3)10(13)12-9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.1039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.84692  SlogP: 2.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108216  Sterimol/B1: 3.13942  Sterimol/B2: 3.22097  Sterimol/B3: 3.63429
  Sterimol/B4: 4.00315  Sterimol/L: 13.0497 
 
 Surface and Volume Properties
  Accessible surface: 416.378  Positive charged surface: 302.868  Negative charged surface: 113.51  Volume: 208.625
  Hydrophobic surface: 338.189  Hydrophilic surface: 78.189
 
 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.