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IBS-ZINC05452169

 MMsINC code: MMs01948917
Type: Neutral
Formula: C19H16F4N2O4
SMILES:   Fc1ccc(cc1)C(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1cc(OC)ccc1
InChI:   InChI=1/C19H16F4N2O4/c1-29-13-4-2-3-11(9-13)15-14(16(26)10-5-7-12(20)8-6-10)18(28,19(21,22)23)25-17(27)24-15/h2-9,14-15,28H,1H3,(H2,24,25,27)/t14-,15+,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.5366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.339 g/mol  logS: -4.65857  SlogP: 3.4536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181946  Sterimol/B1: 3.14409  Sterimol/B2: 5.00658  Sterimol/B3: 5.55984
  Sterimol/B4: 7.51661  Sterimol/L: 13.8012 
 
 Surface and Volume Properties
  Accessible surface: 577.18  Positive charged surface: 309.41  Negative charged surface: 267.769  Volume: 329.375
  Hydrophobic surface: 371.941  Hydrophilic surface: 205.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.