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


NCID-ZINC01863460

 MMsINC code: MMs02374543
Type: Neutral
Formula: C5H11O6P
SMILES:   P(OC)(OC)(=O)C(O)C(OC)=O
InChI:   InChI=1/C5H11O6P/c1-9-4(6)5(7)12(8,10-2)11-3/h5,7H,1-3H3/t5-/m1/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)=37.7711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.111 g/mol  logS: 0.30226  SlogP: -1.1065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969316  Sterimol/B1: 3.44708  Sterimol/B2: 3.49234  Sterimol/B3: 3.99712
  Sterimol/B4: 4.04849  Sterimol/L: 12.0945 
 
 Surface and Volume Properties
  Accessible surface: 381.208  Positive charged surface: 300.466  Negative charged surface: 80.7424  Volume: 163
  Hydrophobic surface: 266.711  Hydrophilic surface: 114.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.