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NCID-ZINC01627038

 MMsINC code: MMs02273372
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(N(CCCC)CCCC)C(C)(C)C
InChI:   InChI=1/C13H27NO/c1-6-8-10-14(11-9-7-2)12(15)13(3,4)5/h6-11H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.1068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -2.35819  SlogP: 3.4613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131896  Sterimol/B1: 2.97218  Sterimol/B2: 3.75697  Sterimol/B3: 4.55807
  Sterimol/B4: 6.16625  Sterimol/L: 13.1617 
 
 Surface and Volume Properties
  Accessible surface: 484.986  Positive charged surface: 357.827  Negative charged surface: 127.158  Volume: 251.625
  Hydrophobic surface: 372.475  Hydrophilic surface: 112.511
 
 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.