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


AURORAFEINCHEMIE-ZINC02046745

 MMsINC code: MMs00449348
Type: Neutral
Formula: C15H16O
SMILES:   OC(CCc1ccccc1)c1ccccc1
InChI:   InChI=1/C15H16O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-/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)=48.9607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.292 g/mol  logS: -3.18704  SlogP: 3.44827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11176  Sterimol/B1: 2.18344  Sterimol/B2: 3.6014  Sterimol/B3: 3.78148
  Sterimol/B4: 4.82408  Sterimol/L: 14.2034 
 
 Surface and Volume Properties
  Accessible surface: 461.051  Positive charged surface: 258.798  Negative charged surface: 202.254  Volume: 229
  Hydrophobic surface: 425.14  Hydrophilic surface: 35.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.