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


NCID-ZINC04916317

 MMsINC code: MMs02415844
Type: Neutral
Formula: C17H30O
SMILES:   O=C1CCCCCCC\C=C/CCCCCCC1
InChI:   InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-

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)=68.0902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.426 g/mol  logS: -5.25643  SlogP: 5.5867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117277  Sterimol/B1: 2.97421  Sterimol/B2: 3.30115  Sterimol/B3: 5.39152
  Sterimol/B4: 6.34101  Sterimol/L: 11.9589 
 
 Surface and Volume Properties
  Accessible surface: 504.299  Positive charged surface: 389.465  Negative charged surface: 114.834  Volume: 294.125
  Hydrophobic surface: 450.113  Hydrophilic surface: 54.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.