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OAKWOOD-ZINC01433125

 MMsINC code: MMs02543185
Type: Neutral
Formula: C11H19NO3
SMILES:   O=C1CCC(NC(OC(C)(C)C)=O)CC1
InChI:   InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.6888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.46913  SlogP: 2.0228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873766  Sterimol/B1: 2.44697  Sterimol/B2: 3.31385  Sterimol/B3: 3.48301
  Sterimol/B4: 5.28333  Sterimol/L: 14.0401 
 
 Surface and Volume Properties
  Accessible surface: 442.347  Positive charged surface: 306.735  Negative charged surface: 135.612  Volume: 215.5
  Hydrophobic surface: 301.273  Hydrophilic surface: 141.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.