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IBS-ZINC04144355

 MMsINC code: MMs01881798
Type: Neutral
Formula: C19H16F4N2O3
SMILES:   Fc1ccc(cc1)C(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1ccc(cc1)C
InChI:   InChI=1/C19H16F4N2O3/c1-10-2-4-11(5-3-10)15-14(16(26)12-6-8-13(20)9-7-12)18(28,19(21,22)23)25-17(27)24-15/h2-9,14-15,28H,1H3,(H2,24,25,27)/t14-,15-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7041 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: 0.236176  Sterimol/B1: 3.11323  Sterimol/B2: 3.89821  Sterimol/B3: 3.97799
  Sterimol/B4: 7.87085  Sterimol/L: 13.3814 
 
 Surface and Volume Properties
  Accessible surface: 552.886  Positive charged surface: 275.84  Negative charged surface: 277.047  Volume: 323.75
  Hydrophobic surface: 352.358  Hydrophilic surface: 200.528
 
 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.