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


NCID-ZINC01592064

 MMsINC code: MMs02246638
Type: Neutral
Formula: C11H20O2
SMILES:   O1C(CCCCCCCCC1=O)C
InChI:   InChI=1/C11H20O2/c1-10-8-6-4-2-3-5-7-9-11(12)13-10/h10H,2-9H2,1H3/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)=74.6682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.02287  SlogP: 3.0525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2265  Sterimol/B1: 2.19989  Sterimol/B2: 4.07719  Sterimol/B3: 4.11899
  Sterimol/B4: 5.75419  Sterimol/L: 10.3532 
 
 Surface and Volume Properties
  Accessible surface: 379.374  Positive charged surface: 262.195  Negative charged surface: 117.179  Volume: 200.375
  Hydrophobic surface: 304.961  Hydrophilic surface: 74.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.