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PUBCHEM-ZINC05762196

 MMsINC code: MMs03375544
Type: Neutral
Formula: C10H18O
SMILES:   OC\C=C/1\CC(CCC\1)(C)C
InChI:   InChI=1/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -3.01909  SlogP: 2.5053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224722  Sterimol/B1: 1.97947  Sterimol/B2: 3.48765  Sterimol/B3: 4.77207
  Sterimol/B4: 5.08284  Sterimol/L: 10.567 
 
 Surface and Volume Properties
  Accessible surface: 366.222  Positive charged surface: 273.688  Negative charged surface: 92.5345  Volume: 177.125
  Hydrophobic surface: 255.732  Hydrophilic surface: 110.49
 
 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.