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


NCID-ZINC01711942

 MMsINC code: MMs02338813
Type: Neutral
Formula: C11H14O
SMILES:   OC1CC(CC1)c1ccccc1
InChI:   InChI=1/C11H14O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/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)=38.8476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.232 g/mol  logS: -1.84608  SlogP: 2.315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134167  Sterimol/B1: 3.30203  Sterimol/B2: 3.5363  Sterimol/B3: 3.81735
  Sterimol/B4: 4.05322  Sterimol/L: 11.9376 
 
 Surface and Volume Properties
  Accessible surface: 375.439  Positive charged surface: 246.81  Negative charged surface: 128.629  Volume: 176.625
  Hydrophobic surface: 326.225  Hydrophilic surface: 49.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.