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


PUBCHEM-ZINC06762383

 MMsINC code: MMs03855764
Type: Neutral
Formula: C8H15F2NO3
SMILES:   FC(F)(C(O)C(N)CC(C)C)C(O)=O
InChI:   InChI=1/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6-/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)=58.6398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.208 g/mol  logS: -1.33796  SlogP: 0.8605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139663  Sterimol/B1: 2.47828  Sterimol/B2: 3.34161  Sterimol/B3: 3.68118
  Sterimol/B4: 3.98559  Sterimol/L: 13.0456 
 
 Surface and Volume Properties
  Accessible surface: 395.045  Positive charged surface: 236.81  Negative charged surface: 158.235  Volume: 184.5
  Hydrophobic surface: 143.535  Hydrophilic surface: 251.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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:  
   

Ions/Tautomers related molecules: no related molecules available.