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


ASINEX-ZINC05021962

 MMsINC code: MMs00438029
Type: Neutral
Formula: C5H9Cl3NO4P
SMILES:   ClC(Cl)(Cl)C(P(O)(O)=O)NC(=O)CC
InChI:   InChI=1/C5H9Cl3NO4P/c1-2-3(10)9-4(5(6,7)8)14(11,12)13/h4H,2H2,1H3,(H,9,10)(H2,11,12,13)/t4-/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)=-14.3726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.463 g/mol  logS: -1.59121  SlogP: 0.7363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125529  Sterimol/B1: 2.90949  Sterimol/B2: 3.71682  Sterimol/B3: 3.88276
  Sterimol/B4: 5.43511  Sterimol/L: 11.6665 
 
 Surface and Volume Properties
  Accessible surface: 415.788  Positive charged surface: 168.216  Negative charged surface: 247.572  Volume: 197.875
  Hydrophobic surface: 110.068  Hydrophilic surface: 305.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.