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


PUBCHEM-ZINC04773230

 MMsINC code: MMs03168933
Type: Neutral
Formula: C12H24O2
SMILES:   OC1CCCCCCCCCCC1O
InChI:   InChI=1/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2/t11-,12-/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)=96.8068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.322 g/mol  logS: -3.2327  SlogP: 2.6228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18747  Sterimol/B1: 2.4559  Sterimol/B2: 3.32868  Sterimol/B3: 4.32162
  Sterimol/B4: 5.57749  Sterimol/L: 10.4625 
 
 Surface and Volume Properties
  Accessible surface: 406.959  Positive charged surface: 307.381  Negative charged surface: 99.5779  Volume: 224.75
  Hydrophobic surface: 320.004  Hydrophilic surface: 86.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.