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


PUBCHEM-ZINC05313579

 MMsINC code: MMs03237593
Type: Neutral
Formula: C10H16O
SMILES:   O=C1CC(CC(=C1)C)CCC
InChI:   InChI=1/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3/t9-/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)=16.3807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.73167  SlogP: 2.7119  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.071984  Sterimol/B1: 2.96215  Sterimol/B2: 3.02328  Sterimol/B3: 3.08537
  Sterimol/B4: 5.34358  Sterimol/L: 12.0514 
 
 Surface and Volume Properties
  Accessible surface: 372.834  Positive charged surface: 252.935  Negative charged surface: 119.899  Volume: 174.25
  Hydrophobic surface: 298.206  Hydrophilic surface: 74.628
 
 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.