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


NCID-ZINC01608736

 MMsINC code: MMs02260156
Type: Neutral
Formula: C11H22O3
SMILES:   O(C(=O)CCCCC)CCC(OC)C
InChI:   InChI=1/C11H22O3/c1-4-5-6-7-11(12)14-9-8-10(2)13-3/h10H,4-9H2,1-3H3/t10-/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)=13.3059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.42512  SlogP: 2.5349  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0234088  Sterimol/B1: 2.58352  Sterimol/B2: 2.78678  Sterimol/B3: 3.5573
  Sterimol/B4: 4.1509  Sterimol/L: 17.0241 
 
 Surface and Volume Properties
  Accessible surface: 490.125  Positive charged surface: 393.31  Negative charged surface: 96.8145  Volume: 227.625
  Hydrophobic surface: 401.411  Hydrophilic surface: 88.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.