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


NCID-ZINC01579164

 MMsINC code: MMs02237018
Type: Neutral
Formula: C20H34O
SMILES:   O=C(C1CCCCC1CC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C20H34O/c21-20(17-11-5-2-6-12-17)19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h16-19H,1-15H2/t18-,19-/m0/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)=50.8955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -7.13543  SlogP: 5.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0942067  Sterimol/B1: 3.20341  Sterimol/B2: 3.23354  Sterimol/B3: 3.52531
  Sterimol/B4: 7.16147  Sterimol/L: 15.6253 
 
 Surface and Volume Properties
  Accessible surface: 555.801  Positive charged surface: 448.502  Negative charged surface: 107.298  Volume: 325.375
  Hydrophobic surface: 547.501  Hydrophilic surface: 8.3000000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.