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


NCID-ZINC05046420

 MMsINC code: MMs02431899
Type: Neutral
Formula: C3H8ClO5P
SMILES:   ClCC(O)COP(O)(O)=O
InChI:   InChI=1/C3H8ClO5P/c4-1-3(5)2-9-10(6,7)8/h3,5H,1-2H2,(H2,6,7,8)/t3-/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)=-52.9235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.519 g/mol  logS: 0.26168  SlogP: -1.3748  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100447  Sterimol/B1: 3.04287  Sterimol/B2: 3.04315  Sterimol/B3: 3.30533
  Sterimol/B4: 3.51821  Sterimol/L: 11.8923 
 
 Surface and Volume Properties
  Accessible surface: 349.574  Positive charged surface: 173.405  Negative charged surface: 176.169  Volume: 137.375
  Hydrophobic surface: 83.6054  Hydrophilic surface: 265.9686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02431900
NCID-ZINC05046420