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


NCID-ZINC05566672

 MMsINC code: MMs02475578
Type: Neutral
Formula: C3H8O6P2
SMILES:   P(O)(O)(=O)C1(P(O)(O)=O)CC1
InChI:   InChI=1/C3H8O6P2/c4-10(5,6)3(1-2-3)11(7,8)9/h1-2H2,(H2,4,5,6)(H2,7,8,9)

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)=-80.7023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.039 g/mol  logS: 1.14016  SlogP: -2.3085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.369482  Sterimol/B1: 2.2374  Sterimol/B2: 2.90884  Sterimol/B3: 3.66094
  Sterimol/B4: 6.1556  Sterimol/L: 8.63984 
 
 Surface and Volume Properties
  Accessible surface: 332.968  Positive charged surface: 165.185  Negative charged surface: 167.783  Volume: 141.625
  Hydrophobic surface: 59.6699  Hydrophilic surface: 273.2981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: no related molecules available.