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


PUBCHEM-ZINC05495356

 MMsINC code: MMs03286316
Type: Neutral
Formula: C33H37NO6
SMILES:   O(C)c1cc(ccc1OC)Cc1cc(cnc1CCc1cc(OC)c(OC)cc1)Cc1cc(OC)c(OC)c
c1
InChI:   InChI=1/C33H37NO6/c1-35-28-12-8-22(18-31(28)38-4)7-11-27-26(16-24-10-14-30(37-3)33(20-24)40-6)17-25(21-34-27)15-23-9-13-29(36-2)32(19-23)39-5/h8-10,12-14,17-21H,7,11,15-16H2,1-6H3

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)=196.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 543.66 g/mol  logS: -6.0522  SlogP: 6.09988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0980068  Sterimol/B1: 3.56563  Sterimol/B2: 6.28495  Sterimol/B3: 6.41148
  Sterimol/B4: 8.34058  Sterimol/L: 19.9914 
 
 Surface and Volume Properties
  Accessible surface: 884.207  Positive charged surface: 706.628  Negative charged surface: 177.58  Volume: 543.625
  Hydrophobic surface: 824.058  Hydrophilic surface: 60.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.