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PUBCHEM-ZINC05427890

 MMsINC code: MMs03267499
Type: Neutral
Formula: C11H19NO3
SMILES:   O(C(=O)C1CCN(CC1)C(=O)CC)CC
InChI:   InChI=1/C11H19NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.7028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.91049  SlogP: 1.1981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060908  Sterimol/B1: 2.50271  Sterimol/B2: 2.70409  Sterimol/B3: 4.17489
  Sterimol/B4: 5.24872  Sterimol/L: 15.1023 
 
 Surface and Volume Properties
  Accessible surface: 451.017  Positive charged surface: 347.556  Negative charged surface: 103.461  Volume: 215.875
  Hydrophobic surface: 345.114  Hydrophilic surface: 105.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.