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


APOLLO-ZINC01529067

 MMsINC code: MMs00049363
Type: Neutral
Formula: C10H7F3O2
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)C(=O)C
InChI:   InChI=1/C10H7F3O2/c1-6(14)9(15)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3

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)=65.3473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.158 g/mol  logS: -3.08505  SlogP: 2.7886  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0219451  Sterimol/B1: 2.24213  Sterimol/B2: 2.79231  Sterimol/B3: 3.4505
  Sterimol/B4: 4.16674  Sterimol/L: 12.309 
 
 Surface and Volume Properties
  Accessible surface: 375.194  Positive charged surface: 144.526  Negative charged surface: 230.668  Volume: 173.875
  Hydrophobic surface: 205.151  Hydrophilic surface: 170.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.