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


NCID-ZINC01591410

 MMsINC code: MMs02246103
Type: Neutral
Formula: C17H18O4
SMILES:   O(C)c1ccc(cc1O)\C=C\c1cc(OC)cc(OC)c1
InChI:   InChI=1/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+

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)=100.485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.327 g/mol  logS: -4.04825  SlogP: 3.5884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00662322  Sterimol/B1: 2.3668  Sterimol/B2: 2.45991  Sterimol/B3: 3.46722
  Sterimol/B4: 6.08394  Sterimol/L: 17.3083 
 
 Surface and Volume Properties
  Accessible surface: 561.009  Positive charged surface: 401.74  Negative charged surface: 159.268  Volume: 282.625
  Hydrophobic surface: 483.036  Hydrophilic surface: 77.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02246104
NCID-ZINC01591410