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


DSC-ZINC01594294

 MMsINC code: MMs01221670
Type: Neutral
Formula: C21H21O4P
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)(OCc1ccccc1)=O
InChI:   InChI=1/C21H21O4P/c22-26(23-16-19-10-4-1-5-11-19,24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2

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)=39.6209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.369 g/mol  logS: -5.16964  SlogP: 5.4739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113457  Sterimol/B1: 2.56251  Sterimol/B2: 3.95913  Sterimol/B3: 4.64399
  Sterimol/B4: 11.9968  Sterimol/L: 15.3049 
 
 Surface and Volume Properties
  Accessible surface: 664.382  Positive charged surface: 341.871  Negative charged surface: 322.511  Volume: 358.375
  Hydrophobic surface: 592.889  Hydrophilic surface: 71.493
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.