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


PUBCHEM-ZINC02164174

 MMsINC code: MMs02878342
Type: Neutral
Formula: C10H22O
SMILES:   OC(C(CC)C)CCCCC
InChI:   InChI=1/C10H22O/c1-4-6-7-8-10(11)9(3)5-2/h9-11H,4-8H2,1-3H3/t9-,10+/m0/s1

Download   format file 
Drug Similarity  |  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)=15.7682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.285 g/mol  logS: -2.70861  SlogP: 2.9737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560264  Sterimol/B1: 2.63718  Sterimol/B2: 3.14693  Sterimol/B3: 3.18906
  Sterimol/B4: 4.09423  Sterimol/L: 14.7317 
 
 Surface and Volume Properties
  Accessible surface: 416.013  Positive charged surface: 314.781  Negative charged surface: 101.232  Volume: 195.75
  Hydrophobic surface: 314.532  Hydrophilic surface: 101.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.