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NCID-ZINC01696908

 MMsINC code: MMs02327599
Type: Neutral
Formula: C14H26O2
SMILES:   O(C(=O)CC1CCCCC1)CC(CC)CC
InChI:   InChI=1/C14H26O2/c1-3-12(4-2)11-16-14(15)10-13-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.36 g/mol  logS: -4.44309  SlogP: 3.9362  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0403004  Sterimol/B1: 2.57058  Sterimol/B2: 3.16197  Sterimol/B3: 3.42578
  Sterimol/B4: 5.52731  Sterimol/L: 15.9374 
 
 Surface and Volume Properties
  Accessible surface: 501.158  Positive charged surface: 388.811  Negative charged surface: 112.347  Volume: 254.25
  Hydrophobic surface: 436.66  Hydrophilic surface: 64.498
 
 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.