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PUBCHEM-ZINC05907627

 MMsINC code: MMs03439389
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(N(CC(C)C)CC(C)C)C(C)(C)C
InChI:   InChI=1/C13H27NO/c1-10(2)8-14(9-11(3)4)12(15)13(5,6)7/h10-11H,8-9H2,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -1.73129  SlogP: 3.1731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200878  Sterimol/B1: 2.25297  Sterimol/B2: 2.65472  Sterimol/B3: 4.19718
  Sterimol/B4: 7.96981  Sterimol/L: 11.399 
 
 Surface and Volume Properties
  Accessible surface: 445.966  Positive charged surface: 314.859  Negative charged surface: 131.107  Volume: 246.5
  Hydrophobic surface: 313.469  Hydrophilic surface: 132.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.