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NCID-ZINC01694340

 MMsINC code: MMs02325565
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(=O)CCC(=O)N(CC)CC)CCOC
InChI:   InChI=1/C11H21NO4/c1-4-12(5-2)10(13)6-7-11(14)16-9-8-15-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -0.62619  SlogP: 0.8246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0343666  Sterimol/B1: 2.11263  Sterimol/B2: 2.40852  Sterimol/B3: 3.50527
  Sterimol/B4: 6.67637  Sterimol/L: 16.0741 
 
 Surface and Volume Properties
  Accessible surface: 508.395  Positive charged surface: 403.735  Negative charged surface: 104.66  Volume: 239.5
  Hydrophobic surface: 390.401  Hydrophilic surface: 117.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.