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


NCID-ZINC01864974

 MMsINC code: MMs02374832
Type: Neutral
Formula: C20H29F3N2O3
SMILES:   FC(F)(F)CNC(C(C)C)C(=O)NC(Cc1ccccc1)C(OC(C)(C)C)=O
InChI:   InChI=1/C20H29F3N2O3/c1-13(2)16(24-12-20(21,22)23)17(26)25-15(18(27)28-19(3,4)5)11-14-9-7-6-8-10-14/h6-10,13,15-16,24H,11-12H2,1-5H3,(H,25,26)/t15-,16-/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)=127.755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.457 g/mol  logS: -4.56296  SlogP: 3.65197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137412  Sterimol/B1: 2.13024  Sterimol/B2: 3.1415  Sterimol/B3: 6.22474
  Sterimol/B4: 9.98926  Sterimol/L: 16.1595 
 
 Surface and Volume Properties
  Accessible surface: 672.47  Positive charged surface: 382.88  Negative charged surface: 289.59  Volume: 380.375
  Hydrophobic surface: 442.873  Hydrophilic surface: 229.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.