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


PUBCHEM-ZINC05356106

 MMsINC code: MMs03247024
Type: Neutral
Formula: C11H13ClIO4P
SMILES:   Ic1ccc(cc1)/C(/Cl)=C/C(P(OC)(OC)=O)O
InChI:   InChI=1/C11H13ClIO4P/c1-16-18(15,17-2)11(14)7-10(12)8-3-5-9(13)6-4-8/h3-7,11,14H,1-2H3/b10-7-/t11-/m0/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)=76.8337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.552 g/mol  logS: -3.38564  SlogP: 2.605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661931  Sterimol/B1: 2.4503  Sterimol/B2: 3.05  Sterimol/B3: 4.34629
  Sterimol/B4: 7.03086  Sterimol/L: 16.4773 
 
 Surface and Volume Properties
  Accessible surface: 532.43  Positive charged surface: 259.717  Negative charged surface: 272.713  Volume: 269.875
  Hydrophobic surface: 448.086  Hydrophilic surface: 84.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.