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


SIAL-ZINC04557366

 MMsINC code: MMs03922984
Type: Neutral
Formula: C28H18O2
SMILES:   Oc1c2c(c3c(cccc3)c1-c1c3c(c4c(cccc4)c1O)cccc3)cccc2
InChI:   InChI=1/C28H18O2/c29-27-23-15-7-3-11-19(23)17-9-1-5-13-21(17)25(27)26-22-14-6-2-10-18(22)20-12-4-8-16-24(20)28(26)30/h1-16,29-30H

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)=149.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.45 g/mol  logS: -10.5989  SlogP: 7.3776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250828  Sterimol/B1: 2.097  Sterimol/B2: 2.24305  Sterimol/B3: 7.13874
  Sterimol/B4: 7.46204  Sterimol/L: 16.3935 
 
 Surface and Volume Properties
  Accessible surface: 612.511  Positive charged surface: 300.482  Negative charged surface: 280.445  Volume: 379.5
  Hydrophobic surface: 552.117  Hydrophilic surface: 60.394
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.