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


LOPAC-ZINC01722375

 MMsINC code: MMs02125551
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)=-29.5146 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: 0.125435  Sterimol/B1: 2.68214  Sterimol/B2: 3.01111  Sterimol/B3: 3.36066
  Sterimol/B4: 3.50419  Sterimol/L: 9.68588 
 
 Surface and Volume Properties
  Accessible surface: 292.816  Positive charged surface: 152.568  Negative charged surface: 140.248  Volume: 108.875
  Hydrophobic surface: 133.243  Hydrophilic surface: 159.573
 
 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.