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


PUBCHEM-ZINC02768136

 MMsINC code: MMs02920776
Type: Neutral
Formula: C20H27NO5
SMILES:   O(C)c1c(OC)cc(cc1OC)CNCCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C20H27NO5/c1-22-16-7-6-14(10-17(16)23-2)8-9-21-13-15-11-18(24-3)20(26-5)19(12-15)25-4/h6-7,10-12,21H,8-9,13H2,1-5H3

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)=122.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.438 g/mol  logS: -3.20665  SlogP: 3.32827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212333  Sterimol/B1: 2.43152  Sterimol/B2: 3.79961  Sterimol/B3: 4.22096
  Sterimol/B4: 7.62973  Sterimol/L: 20.5568 
 
 Surface and Volume Properties
  Accessible surface: 698.312  Positive charged surface: 591.716  Negative charged surface: 106.596  Volume: 363.875
  Hydrophobic surface: 637.566  Hydrophilic surface: 60.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02920777
PUBCHEM-ZINC02768136