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


PUBCHEM-ZINC02784122

 MMsINC code: MMs02925400
Type: Neutral
Formula: C16H19F2NO4
SMILES:   FC(F)Oc1cc(C)c(NC(=O)C2CCCCC2C(O)=O)cc1
InChI:   InChI=1/C16H19F2NO4/c1-9-8-10(23-16(17)18)6-7-13(9)19-14(20)11-4-2-3-5-12(11)15(21)22/h6-8,11-12,16H,2-5H2,1H3,(H,19,20)(H,21,22)/t11-,12+/m0/s1

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)=70.8717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.327 g/mol  logS: -2.97331  SlogP: 3.84582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170207  Sterimol/B1: 2.00008  Sterimol/B2: 4.53117  Sterimol/B3: 4.992
  Sterimol/B4: 7.39209  Sterimol/L: 13.9261 
 
 Surface and Volume Properties
  Accessible surface: 530.881  Positive charged surface: 324.546  Negative charged surface: 206.335  Volume: 284.75
  Hydrophobic surface: 348.848  Hydrophilic surface: 182.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02925401
PUBCHEM-ZINC02784122