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


NCID-ZINC01601651

 MMsINC code: MMs02254545
Type: Neutral
Formula: C30H26O6
SMILES:   O(C(=O)C)c1c2c(cccc2)c(OC(=O)C)cc1C=C(c1ccc(OC)cc1)c1ccc(OC)
cc1
InChI:   InChI=1/C30H26O6/c1-19(31)35-29-18-23(30(36-20(2)32)27-8-6-5-7-26(27)29)17-28(21-9-13-24(33-3)14-10-21)22-11-15-25(34-4)16-12-22/h5-18H,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)=174.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.532 g/mol  logS: -8.40878  SlogP: 6.11379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153308  Sterimol/B1: 2.58025  Sterimol/B2: 4.49933  Sterimol/B3: 7.0301
  Sterimol/B4: 10.3453  Sterimol/L: 18.5266 
 
 Surface and Volume Properties
  Accessible surface: 772.793  Positive charged surface: 487.172  Negative charged surface: 279.166  Volume: 466.5
  Hydrophobic surface: 694.185  Hydrophilic surface: 78.608
 
 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.