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


IBS-ZINC02310382

 MMsINC code: MMs01829315
Type: Neutral
Formula: C19H26O4P2
SMILES:   P(O)(=O)(CCc1ccccc1)CCCP(O)(=O)CCc1ccccc1
InChI:   InChI=1/C19H26O4P2/c20-24(21,16-12-18-8-3-1-4-9-18)14-7-15-25(22,23)17-13-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,20,21)(H,22,23)

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)=41.7707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.361 g/mol  logS: -2.29325  SlogP: 2.26224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318484  Sterimol/B1: 2.68431  Sterimol/B2: 3.13168  Sterimol/B3: 4.97289
  Sterimol/B4: 5.43597  Sterimol/L: 22.6099 
 
 Surface and Volume Properties
  Accessible surface: 695.399  Positive charged surface: 401.34  Negative charged surface: 294.059  Volume: 365.625
  Hydrophobic surface: 559.952  Hydrophilic surface: 135.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01829316
IBS-ZINC02310382