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


ASINEX-ZINC02063447

 MMsINC code: MMs00262256
Type: Neutral
Formula: C25H18O2
SMILES:   O1c2c(C=CC1(c1ccc(O)cc1)c1ccccc1)c1c(cc2)cccc1
InChI:   InChI=1/C25H18O2/c26-21-13-11-20(12-14-21)25(19-7-2-1-3-8-19)17-16-23-22-9-5-4-6-18(22)10-15-24(23)27-25/h1-17,26H/t25-/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)=126.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.417 g/mol  logS: -7.11521  SlogP: 6.2063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200397  Sterimol/B1: 2.55438  Sterimol/B2: 4.09655  Sterimol/B3: 4.47079
  Sterimol/B4: 7.96401  Sterimol/L: 16.7293 
 
 Surface and Volume Properties
  Accessible surface: 589.059  Positive charged surface: 321.199  Negative charged surface: 258.402  Volume: 344.625
  Hydrophobic surface: 531.462  Hydrophilic surface: 57.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.