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


NCID-ZINC04887068

 MMsINC code: MMs02412450
Type: Neutral
Formula: C32H24O2
SMILES:   OC(=O)c1cc(c(cc1C(c1ccccc1)c1ccccc1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C32H24O2/c33-32(34)30-22-28(24-15-7-2-8-16-24)27(23-13-5-1-6-14-23)21-29(30)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,31H,(H,33,34)

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)=164.02 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.542 g/mol  logS: -9.96588  SlogP: 7.899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285527  Sterimol/B1: 2.52235  Sterimol/B2: 5.12259  Sterimol/B3: 6.88531
  Sterimol/B4: 9.87595  Sterimol/L: 15.8726 
 
 Surface and Volume Properties
  Accessible surface: 706.686  Positive charged surface: 397.775  Negative charged surface: 304.169  Volume: 442.375
  Hydrophobic surface: 628.005  Hydrophilic surface: 78.681
 
 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


MMs02412451
NCID-ZINC04887068