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


ASINEX-ZINC02905302

 MMsINC code: MMs00280836
Type: Neutral
Formula: C6H13Cl3NO4P
SMILES:   ClC(Cl)(Cl)C(O)NP(OCC)(OCC)=O
InChI:   InChI=1/C6H13Cl3NO4P/c1-3-13-15(12,14-4-2)10-5(11)6(7,8)9/h5,11H,3-4H2,1-2H3,(H,10,12)/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)=-13.2165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.506 g/mol  logS: -2.04904  SlogP: 1.7954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143069  Sterimol/B1: 3.08899  Sterimol/B2: 3.09982  Sterimol/B3: 4.41171
  Sterimol/B4: 7.26816  Sterimol/L: 12.2156 
 
 Surface and Volume Properties
  Accessible surface: 467.556  Positive charged surface: 213.165  Negative charged surface: 254.39  Volume: 229.5
  Hydrophobic surface: 188.08  Hydrophilic surface: 279.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.