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


PUBCHEM-ZINC05252428

 MMsINC code: MMs03228290
Type: Neutral
Formula: C20H22O2
SMILES:   Oc1cc2cc(ccc2cc1O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C20H22O2/c21-18-7-15-1-2-17(6-16(15)8-19(18)22)20-9-12-3-13(10-20)5-14(4-12)11-20/h1-2,6-8,12-14,21-22H,3-5,9-11H2/t12-,13+,14-,20-

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)=87.9185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.394 g/mol  logS: -7.34364  SlogP: 4.7188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0852616  Sterimol/B1: 2.51057  Sterimol/B2: 3.61078  Sterimol/B3: 3.72195
  Sterimol/B4: 6.183  Sterimol/L: 14.8002 
 
 Surface and Volume Properties
  Accessible surface: 505.043  Positive charged surface: 348.585  Negative charged surface: 145.387  Volume: 290.5
  Hydrophobic surface: 408.027  Hydrophilic surface: 97.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.