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


NCID-ZINC05432208

 MMsINC code: MMs02461269
Type: Neutral
Formula: C2H7O3P
SMILES:   P(OC)(O)(=O)C
InChI:   InChI=1/C2H7O3P/c1-5-6(2,3)4/h1-2H3,(H,3,4)

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)=-15.8293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.049 g/mol  logS: 0.7338  SlogP: -0.6222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139921  Sterimol/B1: 2.56429  Sterimol/B2: 2.84297  Sterimol/B3: 3.60588
  Sterimol/B4: 3.80874  Sterimol/L: 8.62642 
 
 Surface and Volume Properties
  Accessible surface: 266.761  Positive charged surface: 182.554  Negative charged surface: 84.2068  Volume: 90.875
  Hydrophobic surface: 152.079  Hydrophilic surface: 114.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.