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


NCID-ZINC01664491

 MMsINC code: MMs02300717
Type: Neutral
Formula: C19H21O4P
SMILES:   P(OCC)(=O)(\C(=C\c1ccccc1)\C(OCC)=O)c1ccccc1
InChI:   InChI=1/C19H21O4P/c1-3-22-19(20)18(15-16-11-7-5-8-12-16)24(21,23-4-2)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3/b18-15-/t24-/m1/s1

Download   format file 
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)=85.7422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.347 g/mol  logS: -4.58254  SlogP: 3.1605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280501  Sterimol/B1: 3.80824  Sterimol/B2: 4.55444  Sterimol/B3: 5.70466
  Sterimol/B4: 7.45634  Sterimol/L: 14.2692 
 
 Surface and Volume Properties
  Accessible surface: 575.94  Positive charged surface: 347.401  Negative charged surface: 228.539  Volume: 335
  Hydrophobic surface: 488.996  Hydrophilic surface: 86.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.