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


PUBCHEM-ZINC06762462

 MMsINC code: MMs03855869
Type: Ionized
Formula: C8H14F2NO3-
SMILES:   FC(F)(C([O-])C([NH3+])CC(C)C)C(=O)[O-]
InChI:   InChI=1/C8H14F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6H,3,11H2,1-2H3,(H,13,14)/q-1/t5-,6+/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)=49.118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.2 g/mol  logS: -1.64554  SlogP: -0.7528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160604  Sterimol/B1: 2.26419  Sterimol/B2: 2.49898  Sterimol/B3: 4.36804
  Sterimol/B4: 4.6541  Sterimol/L: 12.8764 
 
 Surface and Volume Properties
  Accessible surface: 389.51  Positive charged surface: 209.295  Negative charged surface: 180.214  Volume: 179.75
  Hydrophobic surface: 153.105  Hydrophilic surface: 236.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 3  Basic groups: 1
  Chiral centers: 2
 
 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:  
   
Parent related molecule:


MMs03855868
PUBCHEM-ZINC06762462