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


PUBCHEM-ZINC06066611

 MMsINC code: MMs03519518
Type: Neutral
Formula: C10H18O
SMILES:   O=C1CCC(CC1C)C(C)C
InChI:   InChI=1/C10H18O/c1-7(2)9-4-5-10(11)8(3)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/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)=25.7961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.50076  SlogP: 2.6477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122688  Sterimol/B1: 2.63153  Sterimol/B2: 2.84885  Sterimol/B3: 3.08879
  Sterimol/B4: 5.77453  Sterimol/L: 10.8737 
 
 Surface and Volume Properties
  Accessible surface: 363.702  Positive charged surface: 260.115  Negative charged surface: 103.587  Volume: 177.125
  Hydrophobic surface: 269.042  Hydrophilic surface: 94.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.