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


ENAMINE-ZINC03367451

 MMsINC code: MMs01399484
Type: Tautomer
Formula: C19H20F3NO3
SMILES:   FC(F)(F)c1cc(ccc1)CNCC(O)COc1cc(ccc1)C(=O)C
InChI:   InChI=1/C19H20F3NO3/c1-13(24)15-5-3-7-18(9-15)26-12-17(25)11-23-10-14-4-2-6-16(8-14)19(20,21)22/h2-9,17,23,25H,10-12H2,1H3/t17-/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)=94.8776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.367 g/mol  logS: -4.13638  SlogP: 4.0154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387089  Sterimol/B1: 3.52309  Sterimol/B2: 3.64642  Sterimol/B3: 4.13985
  Sterimol/B4: 4.73138  Sterimol/L: 20.8218 
 
 Surface and Volume Properties
  Accessible surface: 643.154  Positive charged surface: 341.458  Negative charged surface: 301.696  Volume: 330.125
  Hydrophobic surface: 429.363  Hydrophilic surface: 213.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs01399483
ENAMINE-ZINC03367451