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


IBS-ZINC02029706

 MMsINC code: MMs01780922
Type: Neutral
Formula: C28H24O4
SMILES:   O1c2c(C=CC1(c1ccc(OC)cc1)c1ccc(OC)cc1)c1c(cc(OC)cc1)cc2
InChI:   InChI=1/C28H24O4/c1-29-22-9-5-20(6-10-22)28(21-7-11-23(30-2)12-8-21)17-16-26-25-14-13-24(31-3)18-19(25)4-15-27(26)32-28/h4-18H,1-3H3

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)=162.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.496 g/mol  logS: -7.6283  SlogP: 6.5265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127946  Sterimol/B1: 2.49696  Sterimol/B2: 4.20372  Sterimol/B3: 5.00354
  Sterimol/B4: 10.0712  Sterimol/L: 20.1681 
 
 Surface and Volume Properties
  Accessible surface: 706.446  Positive charged surface: 482.53  Negative charged surface: 211.895  Volume: 416.375
  Hydrophobic surface: 670.105  Hydrophilic surface: 36.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.