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PUBCHEM-ZINC06350613

 MMsINC code: MMs03680585
Type: Neutral
Formula: C11H21NO2
SMILES:   O(CC(=O)N1CC(CC(C1)C)C)CC
InChI:   InChI=1/C11H21NO2/c1-4-14-8-11(13)12-6-9(2)5-10(3)7-12/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.5595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.28466  SlogP: 1.5274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997785  Sterimol/B1: 3.20708  Sterimol/B2: 3.89631  Sterimol/B3: 3.99916
  Sterimol/B4: 4.84634  Sterimol/L: 13.264 
 
 Surface and Volume Properties
  Accessible surface: 438.328  Positive charged surface: 341.618  Negative charged surface: 96.7101  Volume: 217.25
  Hydrophobic surface: 339.041  Hydrophilic surface: 99.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.