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


NCID-ZINC01767278

 MMsINC code: MMs02370130
Type: Neutral
Formula: C18H30O
SMILES:   O=C(C1CCC2(CC1)CCCCC2)C1CCCCC1
InChI:   InChI=1/C18H30O/c19-17(15-7-3-1-4-8-15)16-9-13-18(14-10-16)11-5-2-6-12-18/h15-16H,1-14H2

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)=47.937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.437 g/mol  logS: -6.10499  SlogP: 5.2765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875863  Sterimol/B1: 3.41638  Sterimol/B2: 3.4992  Sterimol/B3: 4.01661
  Sterimol/B4: 4.22232  Sterimol/L: 15.6908 
 
 Surface and Volume Properties
  Accessible surface: 509.842  Positive charged surface: 400.255  Negative charged surface: 109.587  Volume: 291.875
  Hydrophobic surface: 489.082  Hydrophilic surface: 20.76
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.