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


NCID-ZINC04974703

 MMsINC code: MMs02422743
Type: Neutral
Formula: C2H6ClO2P
SMILES:   ClC[PH](OC)=O
InChI:   InChI=1/C2H6ClO2P/c1-5-6(4)2-3/h6H,2H2,1H3

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)=12.4631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.495 g/mol  logS: -0.43893  SlogP: 0.2336  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.122241  Sterimol/B1: 2.42298  Sterimol/B2: 2.52551  Sterimol/B3: 2.95561
  Sterimol/B4: 3.3475  Sterimol/L: 9.71414 
 
 Surface and Volume Properties
  Accessible surface: 281.048  Positive charged surface: 145.3  Negative charged surface: 135.748  Volume: 100.875
  Hydrophobic surface: 166.712  Hydrophilic surface: 114.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.