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PUBCHEM-ZINC02042033

 MMsINC code: MMs02863358
Type: Neutral
Formula: C20H21F3N2O3
SMILES:   FC(F)(F)c1ccc(cc1)CC(NC(=O)CNC(OCc1ccccc1)=O)C
InChI:   InChI=1/C20H21F3N2O3/c1-14(11-15-7-9-17(10-8-15)20(21,22)23)25-18(26)12-24-19(27)28-13-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.8455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.393 g/mol  logS: -4.99353  SlogP: 4.25687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559751  Sterimol/B1: 1.969  Sterimol/B2: 2.89974  Sterimol/B3: 4.60276
  Sterimol/B4: 9.71686  Sterimol/L: 18.4714 
 
 Surface and Volume Properties
  Accessible surface: 679.181  Positive charged surface: 358.848  Negative charged surface: 320.334  Volume: 355.125
  Hydrophobic surface: 448.2  Hydrophilic surface: 230.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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
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Ions/Tautomers related molecules: no related molecules available.