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


NCID-ZINC01700671

 MMsINC code: MMs02330408
Type: Neutral
Formula: C7H10F7NO
SMILES:   FC(F)(C(O)C(N)CC)C(F)(F)C(F)(F)F
InChI:   InChI=1/C7H10F7NO/c1-2-3(15)4(16)5(8,9)6(10,11)7(12,13)14/h3-4,16H,2,15H2,1H3/t3-,4+/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)=57.6692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.149 g/mol  logS: -2.09801  SlogP: 3.1772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126994  Sterimol/B1: 2.85602  Sterimol/B2: 3.28486  Sterimol/B3: 3.45546
  Sterimol/B4: 3.69706  Sterimol/L: 12.5 
 
 Surface and Volume Properties
  Accessible surface: 377.198  Positive charged surface: 153.497  Negative charged surface: 223.701  Volume: 174.5
  Hydrophobic surface: 109.441  Hydrophilic surface: 267.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02330409
NCID-ZINC01700671