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NCID-ZINC01688041

 MMsINC code: MMs02320659
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(=O)CCC(=O)N(CCC)CCC)C
InChI:   InChI=1/C11H21NO3/c1-4-8-12(9-5-2)10(13)6-7-11(14)15-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.53062 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: 0.0574665  Sterimol/B1: 2.2611  Sterimol/B2: 2.86437  Sterimol/B3: 3.03828
  Sterimol/B4: 7.86974  Sterimol/L: 14.9949 
 
 Surface and Volume Properties
  Accessible surface: 488.03  Positive charged surface: 372.685  Negative charged surface: 115.345  Volume: 231
  Hydrophobic surface: 373.128  Hydrophilic surface: 114.902
 
 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.