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


NCID-ZINC05822838

 MMsINC code: MMs02502729
Type: Neutral
Formula: C36H34O4
SMILES:   Oc1ccc(cc1C(c1cc(ccc1O)C)c1cc(ccc1)C(c1cc(ccc1O)C)c1cc(ccc1O
)C)C
InChI:   InChI=1/C36H34O4/c1-21-8-12-31(37)27(16-21)35(28-17-22(2)9-13-32(28)38)25-6-5-7-26(20-25)36(29-18-23(3)10-14-33(29)39)30-19-24(4)11-15-34(30)40/h5-20,35-40H,1-4H3

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)=188.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 530.664 g/mol  logS: -8.72354  SlogP: 8.10308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284944  Sterimol/B1: 1.969  Sterimol/B2: 3.81148  Sterimol/B3: 7.75995
  Sterimol/B4: 8.4492  Sterimol/L: 16.3353 
 
 Surface and Volume Properties
  Accessible surface: 807.711  Positive charged surface: 508.423  Negative charged surface: 299.287  Volume: 529.5
  Hydrophobic surface: 675.24  Hydrophilic surface: 132.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.