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


IBS-ZINC02309913

 MMsINC code: MMs01829204
Type: Ionized
Formula: C20H26O4P2-2
SMILES:   P(=O)([O-])(CCc1ccccc1)CCCCP(=O)([O-])CCc1ccccc1
InChI:   InChI=1/C20H28O4P2/c21-25(22,17-13-19-9-3-1-4-10-19)15-7-8-16-26(23,24)18-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,21,22)(H,23,24)/p-2

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)=34.9722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.372 g/mol  logS: -2.63806  SlogP: 1.38834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030367  Sterimol/B1: 2.87972  Sterimol/B2: 3.63301  Sterimol/B3: 3.65502
  Sterimol/B4: 4.9852  Sterimol/L: 23.9256 
 
 Surface and Volume Properties
  Accessible surface: 718.516  Positive charged surface: 399.964  Negative charged surface: 318.552  Volume: 380
  Hydrophobic surface: 590.645  Hydrophilic surface: 127.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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:  
   
Parent related molecule:


MMs01829203
IBS-ZINC02309913