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IFLAB-ZINC04183798

 MMsINC code: MMs02026446
Type: Neutral
Formula: C18H14F4N2O3
SMILES:   Fc1cc(ccc1)C1NC(=O)NC(O)(C(F)(F)F)C1C(=O)c1ccccc1
InChI:   InChI=1/C18H14F4N2O3/c19-12-8-4-7-11(9-12)14-13(15(25)10-5-2-1-3-6-10)17(27,18(20,21)22)24-16(26)23-14/h1-9,13-14,27H,(H2,23,24,26)/t13-,14-,17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.313 g/mol  logS: -4.60819  SlogP: 3.445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.361515  Sterimol/B1: 3.89938  Sterimol/B2: 4.77685  Sterimol/B3: 5.00226
  Sterimol/B4: 7.2663  Sterimol/L: 11.3106 
 
 Surface and Volume Properties
  Accessible surface: 533.881  Positive charged surface: 239.466  Negative charged surface: 294.416  Volume: 305
  Hydrophobic surface: 336.516  Hydrophilic surface: 197.365
 
 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.