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PUBCHEM-ZINC05762244

 MMsINC code: MMs03375599
Type: Neutral
Formula: C14H26O
SMILES:   OC1(CC=C)C(CCCCC1(C)C)(C)C
InChI:   InChI=1/C14H26O/c1-6-9-14(15)12(2,3)10-7-8-11-13(14,4)5/h6,15H,1,7-11H2,2-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=243.294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -2.87304  SlogP: 3.92  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.371046  Sterimol/B1: 2.50944  Sterimol/B2: 3.05004  Sterimol/B3: 4.51444
  Sterimol/B4: 6.38313  Sterimol/L: 11.2122 
 
 Surface and Volume Properties
  Accessible surface: 398.162  Positive charged surface: 272.706  Negative charged surface: 125.455  Volume: 234.25
  Hydrophobic surface: 287.5  Hydrophilic surface: 110.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.