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


PUBCHEM-ZINC05441006

 MMsINC code: MMs03269800
Type: Neutral
Formula: C10H22O
SMILES:   OC(C(CCCC(C)C)C)C
InChI:   InChI=1/C10H22O/c1-8(2)6-5-7-9(3)10(4)11/h8-11H,5-7H2,1-4H3/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)=23.4952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.285 g/mol  logS: -3.02206  SlogP: 2.8296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837263  Sterimol/B1: 2.80423  Sterimol/B2: 3.09297  Sterimol/B3: 3.15997
  Sterimol/B4: 4.86195  Sterimol/L: 12.4344 
 
 Surface and Volume Properties
  Accessible surface: 409.037  Positive charged surface: 314.018  Negative charged surface: 95.0194  Volume: 195.25
  Hydrophobic surface: 290.521  Hydrophilic surface: 118.516
 
 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.