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CHEMBRIDGE-ZINC02734920

 MMsINC code: MMs00714255
Type: Neutral
Formula: C14H29NO
SMILES:   O=C(N(CCCC)CCCC)C(CCC)C
InChI:   InChI=1/C14H29NO/c1-5-8-11-15(12-9-6-2)14(16)13(4)10-7-3/h13H,5-12H2,1-4H3/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.7181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.392 g/mol  logS: -3.18686  SlogP: 3.8514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100515  Sterimol/B1: 2.54161  Sterimol/B2: 2.55003  Sterimol/B3: 4.03964
  Sterimol/B4: 9.91426  Sterimol/L: 14.217 
 
 Surface and Volume Properties
  Accessible surface: 534.351  Positive charged surface: 399.18  Negative charged surface: 135.171  Volume: 275.5
  Hydrophobic surface: 423.479  Hydrophilic surface: 110.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.