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


NCID-ZINC06003685

 MMsINC code: MMs02515044
Type: Neutral
Formula: C13H14Cl6FN2O8P
SMILES:   ClC(Cl)(Cl)COP(OCC1OC(N2C=C(F)C(=O)NC2=O)CC1O)(OCC(Cl)(Cl)Cl
)=O
InChI:   InChI=1/C13H14Cl6FN2O8P/c14-12(15,16)4-28-31(26,29-5-13(17,18)19)27-3-8-7(23)1-9(30-8)22-2-6(20)10(24)21-11(22)25/h2,7-9,23H,1,3-5H2,(H,21,24,25)/t7-,8-,9-/m0/s1

Download   format file 
Drug Similarity  |  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)=34.4002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 588.951 g/mol  logS: -5.95866  SlogP: 3.6018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143645  Sterimol/B1: 4.72805  Sterimol/B2: 4.74349  Sterimol/B3: 6.18158
  Sterimol/B4: 6.62133  Sterimol/L: 17.5787 
 
 Surface and Volume Properties
  Accessible surface: 720.364  Positive charged surface: 225.493  Negative charged surface: 494.871  Volume: 405.5
  Hydrophobic surface: 186.648  Hydrophilic surface: 533.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.