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CHEMSTAR-ZINC02260555

 MMsINC code: MMs01080683
Type: Neutral
Formula: C19H19F3N2O4
SMILES:   FC(F)(F)C(O)(C(OCC)=O)c1cc(C)c(NC(=O)Nc2ccccc2)cc1
InChI:   InChI=1/C19H19F3N2O4/c1-3-28-16(25)18(27,19(20,21)22)13-9-10-15(12(2)11-13)24-17(26)23-14-7-5-4-6-8-14/h4-11,27H,3H2,1-2H3,(H2,23,24,26)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=116.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.365 g/mol  logS: -5.00191  SlogP: 4.68342  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0680259  Sterimol/B1: 2.29967  Sterimol/B2: 2.62853  Sterimol/B3: 6.29565
  Sterimol/B4: 6.46044  Sterimol/L: 19.4196 
 
 Surface and Volume Properties
  Accessible surface: 642.465  Positive charged surface: 353.58  Negative charged surface: 288.885  Volume: 341.125
  Hydrophobic surface: 432.375  Hydrophilic surface: 210.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.