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NCID-ZINC01688039

 MMsINC code: MMs02320657
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(=O)CCCCC(=O)N(CC)CC)C
InChI:   InChI=1/C11H21NO3/c1-4-12(5-2)10(13)8-6-7-9-11(14)15-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -0.88709  SlogP: 1.5882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0413317  Sterimol/B1: 2.21335  Sterimol/B2: 2.38151  Sterimol/B3: 3.57144
  Sterimol/B4: 6.49104  Sterimol/L: 16.2634 
 
 Surface and Volume Properties
  Accessible surface: 477.899  Positive charged surface: 375.07  Negative charged surface: 102.829  Volume: 230.125
  Hydrophobic surface: 367.861  Hydrophilic surface: 110.038
 
 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.