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


PUBCHEM-ZINC02010962

 MMsINC code: MMs02849106
Type: Neutral
Formula: C10H20O2
SMILES:   OC(=O)C(CCCCC)CCC
InChI:   InChI=1/C10H20O2/c1-3-5-6-8-9(7-4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/t9-/m1/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)=8.72465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.268 g/mol  logS: -3.0886  SlogP: 3.0676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508536  Sterimol/B1: 2.69447  Sterimol/B2: 2.99465  Sterimol/B3: 3.10627
  Sterimol/B4: 4.9229  Sterimol/L: 14.7158 
 
 Surface and Volume Properties
  Accessible surface: 424.212  Positive charged surface: 324.266  Negative charged surface: 99.9463  Volume: 196.75
  Hydrophobic surface: 305.517  Hydrophilic surface: 118.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02849107
PUBCHEM-ZINC02010962