logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC06020393

 MMsINC code: MMs03495468
Type: Neutral
Formula: C10H20O
SMILES:   O=CC(C(CC(C)(C)C)C)C
InChI:   InChI=1/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h7-9H,6H2,1-5H3/t8-,9-/m0/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=64.5815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -3.12531  SlogP: 2.8937  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.210056  Sterimol/B1: 1.96958  Sterimol/B2: 2.93956  Sterimol/B3: 3.72251
  Sterimol/B4: 6.05746  Sterimol/L: 10.9567 
 
 Surface and Volume Properties
  Accessible surface: 368.447  Positive charged surface: 244.656  Negative charged surface: 123.791  Volume: 184.125
  Hydrophobic surface: 234.119  Hydrophilic surface: 134.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.