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NCID-ZINC01687112

 MMsINC code: MMs02319825
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(=O)CCC(=O)N(CC)CC)CCC
InChI:   InChI=1/C11H21NO3/c1-4-9-15-11(14)8-7-10(13)12(5-2)6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.73923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.01253  SlogP: 1.5882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0374823  Sterimol/B1: 2.80845  Sterimol/B2: 3.17316  Sterimol/B3: 4.06665
  Sterimol/B4: 4.63785  Sterimol/L: 16.2754 
 
 Surface and Volume Properties
  Accessible surface: 485.177  Positive charged surface: 357.496  Negative charged surface: 127.682  Volume: 230.75
  Hydrophobic surface: 352.924  Hydrophilic surface: 132.253
 
 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.