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OAKWOOD-ZINC00392725

 MMsINC code: MMs02542959
Type: Neutral
Formula: C11H21NO3
SMILES:   OC1CCC(NC(OC(C)(C)C)=O)CC1
InChI:   InChI=1/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.8707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.57494  SlogP: 1.8146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781723  Sterimol/B1: 2.05199  Sterimol/B2: 3.42931  Sterimol/B3: 4.24029
  Sterimol/B4: 4.75628  Sterimol/L: 14.2973 
 
 Surface and Volume Properties
  Accessible surface: 452.843  Positive charged surface: 338.511  Negative charged surface: 114.332  Volume: 221.5
  Hydrophobic surface: 306.455  Hydrophilic surface: 146.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.