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PUBCHEM-ZINC05916160

 MMsINC code: MMs03442590
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NCC(CNC(=O)CC)(C)C)CC
InChI:   InChI=1/C11H22N2O2/c1-5-9(14)12-7-11(3,4)8-13-10(15)6-2/h5-8H2,1-4H3,(H,12,14)(H,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.7356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -0.95925  SlogP: 1.065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499455  Sterimol/B1: 2.9398  Sterimol/B2: 3.61317  Sterimol/B3: 3.62435
  Sterimol/B4: 3.62483  Sterimol/L: 17.0476 
 
 Surface and Volume Properties
  Accessible surface: 480.27  Positive charged surface: 346.198  Negative charged surface: 134.072  Volume: 235.625
  Hydrophobic surface: 329.381  Hydrophilic surface: 150.889
 
 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.