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


PUBCHEM-ZINC05112557

 MMsINC code: MMs03200989
Type: Neutral
Formula: C3H4ClO6P
SMILES:   Cl\C=C(/OP(O)(O)=O)\C(O)=O
InChI:   InChI=1/C3H4ClO6P/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H2,7,8,9)/b2-1-

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)=-50.3207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.486 g/mol  logS: -0.15304  SlogP: -0.7008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707022  Sterimol/B1: 2.72421  Sterimol/B2: 2.98796  Sterimol/B3: 3.45688
  Sterimol/B4: 5.21138  Sterimol/L: 9.83024 
 
 Surface and Volume Properties
  Accessible surface: 325.904  Positive charged surface: 125.113  Negative charged surface: 200.792  Volume: 131.25
  Hydrophobic surface: 100.543  Hydrophilic surface: 225.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03200990
PUBCHEM-ZINC05112557