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


ENAMINE-ZINC03177056

 MMsINC code: MMs01296163
Type: Neutral
Formula: C10H9F5O3P-
SMILES:   P(OC(C(F)(F)C(F)(F)F)c1ccccc1)(=O)([O-])C
InChI:   InChI=1/C10H10F5O3P/c1-19(16,17)18-8(7-5-3-2-4-6-7)9(11,12)10(13,14)15/h2-6,8H,1H3,(H,16,17)/p-1/t8-/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)=31.3843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.143 g/mol  logS: -2.89195  SlogP: 2.9902  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.204503  Sterimol/B1: 2.14258  Sterimol/B2: 3.44023  Sterimol/B3: 3.73411
  Sterimol/B4: 7.29416  Sterimol/L: 11.5901 
 
 Surface and Volume Properties
  Accessible surface: 437.246  Positive charged surface: 163.799  Negative charged surface: 273.446  Volume: 215.625
  Hydrophobic surface: 229.342  Hydrophilic surface: 207.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01296164
ENAMINE-ZINC03177056