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


NCID-ZINC01606049

 MMsINC code: MMs02258116
Type: Neutral
Formula: C13H28O
SMILES:   OC(CCCCCC)CCCCCC
InChI:   InChI=1/C13H28O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3

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)=2.91777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.366 g/mol  logS: -4.56772  SlogP: 4.2881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267535  Sterimol/B1: 2.4836  Sterimol/B2: 2.81686  Sterimol/B3: 3.13718
  Sterimol/B4: 3.61523  Sterimol/L: 19.7221 
 
 Surface and Volume Properties
  Accessible surface: 520.557  Positive charged surface: 423.49  Negative charged surface: 97.0675  Volume: 248.625
  Hydrophobic surface: 438.965  Hydrophilic surface: 81.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.