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


APOLLO-ZINC02581915

 MMsINC code: MMs00055506
Type: Neutral
Formula: C11H15ClFO3P
SMILES:   Clc1cccc(F)c1CP(OCC)(OCC)=O
InChI:   InChI=1/C11H15ClFO3P/c1-3-15-17(14,16-4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3

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)=26.1631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.663 g/mol  logS: -3.06297  SlogP: 3.4414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105361  Sterimol/B1: 2.63487  Sterimol/B2: 3.60645  Sterimol/B3: 3.99006
  Sterimol/B4: 7.08539  Sterimol/L: 13.8183 
 
 Surface and Volume Properties
  Accessible surface: 480.835  Positive charged surface: 274.625  Negative charged surface: 206.209  Volume: 243.75
  Hydrophobic surface: 406  Hydrophilic surface: 74.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.