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


PUBCHEM-ZINC00395728

 MMsINC code: MMs02673201
Type: Neutral
Formula: C11H20O2
SMILES:   OC(=O)CC1CCCCC1CCC
InChI:   InChI=1/C11H20O2/c1-2-5-9-6-3-4-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/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)=18.2871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.81523  SlogP: 3.0676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112431  Sterimol/B1: 2.70254  Sterimol/B2: 3.1115  Sterimol/B3: 4.19801
  Sterimol/B4: 6.16712  Sterimol/L: 11.3565 
 
 Surface and Volume Properties
  Accessible surface: 406.935  Positive charged surface: 301.943  Negative charged surface: 104.992  Volume: 200.125
  Hydrophobic surface: 292.995  Hydrophilic surface: 113.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02673202
PUBCHEM-ZINC00395728