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


PUBCHEM-ZINC00346137

 MMsINC code: MMs02660334
Type: Neutral
Formula: C11H18O2
SMILES:   OC(=O)C=1CCC(CC=1)C(C)(C)C
InChI:   InChI=1/C11H18O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4,9H,5-7H2,1-3H3,(H,12,13)/t9-/m1/s1

Download   format file 
Drug Similarity  |  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)=35.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.263 g/mol  logS: -3.41924  SlogP: 2.8436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139956  Sterimol/B1: 2.29011  Sterimol/B2: 2.83817  Sterimol/B3: 3.98103
  Sterimol/B4: 5.15043  Sterimol/L: 12.0389 
 
 Surface and Volume Properties
  Accessible surface: 384.859  Positive charged surface: 255.566  Negative charged surface: 129.293  Volume: 194.625
  Hydrophobic surface: 222.712  Hydrophilic surface: 162.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02660335
PUBCHEM-ZINC00346137