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


PUBCHEM-ZINC01414963

 MMsINC code: MMs02803285
Type: Neutral
Formula: C14H11F2NO5
SMILES:   FC(F)c1onc(c1)-c1c(O)c(OC)c2occc2c1OC
InChI:   InChI=1/C14H11F2NO5/c1-19-11-6-3-4-21-12(6)13(20-2)10(18)9(11)7-5-8(14(15)16)22-17-7/h3-5,14,18H,1-2H3

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)=105.002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.24 g/mol  logS: -4.26514  SlogP: 3.8437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297336  Sterimol/B1: 2.30111  Sterimol/B2: 2.39843  Sterimol/B3: 2.93405
  Sterimol/B4: 9.14236  Sterimol/L: 14.3943 
 
 Surface and Volume Properties
  Accessible surface: 493.154  Positive charged surface: 285.863  Negative charged surface: 202.184  Volume: 253
  Hydrophobic surface: 343.083  Hydrophilic surface: 150.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.