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PUBCHEM-ZINC05820870

 MMsINC code: MMs03399884
Type: Neutral
Formula: C14H26O3
SMILES:   O1C(CCCC1=O)CCCC(O)CCCCC
InChI:   InChI=1/C14H26O3/c1-2-3-4-7-12(15)8-5-9-13-10-6-11-14(16)17-13/h12-13,15H,2-11H2,1H3/t12-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.6914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.359 g/mol  logS: -2.91042  SlogP: 3.1936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282933  Sterimol/B1: 2.86478  Sterimol/B2: 3.01001  Sterimol/B3: 3.40192
  Sterimol/B4: 4.73641  Sterimol/L: 18.5844 
 
 Surface and Volume Properties
  Accessible surface: 537.121  Positive charged surface: 407.014  Negative charged surface: 130.107  Volume: 264.5
  Hydrophobic surface: 420.599  Hydrophilic surface: 116.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.