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IFLAB-ZINC04279739

 MMsINC code: MMs02035673
Type: Neutral
Formula: C19H16F4N2O3
SMILES:   Fc1ccccc1C1NC(=O)NC(O)(C(F)(F)F)C1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H16F4N2O3/c1-10-6-8-11(9-7-10)16(26)14-15(12-4-2-3-5-13(12)20)24-17(27)25-18(14,28)19(21,22)23/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)=64.8076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.34 g/mol  logS: -5.08211  SlogP: 3.75342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240637  Sterimol/B1: 3.83368  Sterimol/B2: 4.10552  Sterimol/B3: 4.15884
  Sterimol/B4: 7.51536  Sterimol/L: 13.1193 
 
 Surface and Volume Properties
  Accessible surface: 548.666  Positive charged surface: 274.404  Negative charged surface: 274.262  Volume: 322.625
  Hydrophobic surface: 348.911  Hydrophilic surface: 199.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.