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


CHEMSTAR-ZINC01530427

 MMsINC code: MMs01078858
Type: Neutral
Formula: C3H7O4P
SMILES:   P(O)(O)(=O)C1OC1C
InChI:   InChI=1/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/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)=-24.0768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.059 g/mol  logS: 0.57956  SlogP: -1.1613  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.222128  Sterimol/B1: 2.31345  Sterimol/B2: 3.22672  Sterimol/B3: 3.24908
  Sterimol/B4: 4.17768  Sterimol/L: 9.09897 
 
 Surface and Volume Properties
  Accessible surface: 279.363  Positive charged surface: 146.64  Negative charged surface: 132.723  Volume: 107.5
  Hydrophobic surface: 129.074  Hydrophilic surface: 150.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.