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PUBCHEM-ZINC06488270

 MMsINC code: MMs03763010
Type: Neutral
Formula: C14H26O2
SMILES:   O(C1CCCCC1C)C1CCCCC1OC
InChI:   InChI=1/C14H26O2/c1-11-7-3-4-8-12(11)16-14-10-6-5-9-13(14)15-2/h11-14H,3-10H2,1-2H3/t11-,12-,13+,14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.36 g/mol  logS: -2.50465  SlogP: 3.5393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205383  Sterimol/B1: 2.29593  Sterimol/B2: 3.15788  Sterimol/B3: 5.66006
  Sterimol/B4: 5.6985  Sterimol/L: 12.7789 
 
 Surface and Volume Properties
  Accessible surface: 469.51  Positive charged surface: 395.351  Negative charged surface: 74.1592  Volume: 252.25
  Hydrophobic surface: 448.989  Hydrophilic surface: 20.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.