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NCID-ZINC01695211

 MMsINC code: MMs02326235
Type: Neutral
Formula: C14H29NO
SMILES:   O=C(N(CCC(C)C)CCC(C)C)CCC
InChI:   InChI=1/C14H29NO/c1-6-7-14(16)15(10-8-12(2)3)11-9-13(4)5/h12-13H,6-11H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -3.50031  SlogP: 3.7073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957571  Sterimol/B1: 2.47953  Sterimol/B2: 2.79091  Sterimol/B3: 3.49949
  Sterimol/B4: 9.22533  Sterimol/L: 13.4235 
 
 Surface and Volume Properties
  Accessible surface: 530.078  Positive charged surface: 393.669  Negative charged surface: 136.409  Volume: 272.375
  Hydrophobic surface: 402.184  Hydrophilic surface: 127.894
 
 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.