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ENAMINE-ZINC03480168

 MMsINC code: MMs01465647
Type: Neutral
Formula: C19H21F3N2O4
SMILES:   FC(F)(F)Cn1c(C)c(cc1C)C(=O)COC(=O)c1[nH]c(C)c(C(=O)C)c1C
InChI:   InChI=1/C19H21F3N2O4/c1-9-6-14(12(4)24(9)8-19(20,21)22)15(26)7-28-18(27)17-10(2)16(13(5)25)11(3)23-17/h6,23H,7-8H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.2766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.381 g/mol  logS: -3.29513  SlogP: 4.54078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200601  Sterimol/B1: 2.36166  Sterimol/B2: 2.6779  Sterimol/B3: 3.51918
  Sterimol/B4: 7.30355  Sterimol/L: 20.133 
 
 Surface and Volume Properties
  Accessible surface: 652.648  Positive charged surface: 350.018  Negative charged surface: 302.63  Volume: 350.875
  Hydrophobic surface: 430.911  Hydrophilic surface: 221.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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
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Ions/Tautomers related molecules: no related molecules available.