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


PUBCHEM-ZINC00345857

 MMsINC code: MMs02660244
Type: Neutral
Formula: C11H20O2
SMILES:   OC(=O)C1(CC(C)C(CC1)(C)C)C
InChI:   InChI=1/C11H20O2/c1-8-7-11(4,9(12)13)6-5-10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13)/t8-,11+/m0/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)=47.2256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.18833  SlogP: 2.9235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301214  Sterimol/B1: 2.23702  Sterimol/B2: 3.18887  Sterimol/B3: 3.69173
  Sterimol/B4: 6.026  Sterimol/L: 10.8873 
 
 Surface and Volume Properties
  Accessible surface: 373.059  Positive charged surface: 255.906  Negative charged surface: 117.154  Volume: 199.375
  Hydrophobic surface: 229.454  Hydrophilic surface: 143.605
 
 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


MMs02660245
PUBCHEM-ZINC00345857