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PUBCHEM-ZINC02944626

 MMsINC code: MMs02964165
Type: Neutral
Formula: C19H16F2N2O3
SMILES:   FC(F)Oc1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)C(O)=O
InChI:   InChI=1/C19H16F2N2O3/c20-19(21)26-11-7-5-10(6-8-11)16-17-13(9-15(23-16)18(24)25)12-3-1-2-4-14(12)22-17/h1-8,15-16,19,22-23H,9H2,(H,24,25)/t15-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.344 g/mol  logS: -3.65006  SlogP: 3.97297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145464  Sterimol/B1: 3.23544  Sterimol/B2: 3.26189  Sterimol/B3: 4.65975
  Sterimol/B4: 7.77516  Sterimol/L: 15.0931 
 
 Surface and Volume Properties
  Accessible surface: 561.263  Positive charged surface: 317.813  Negative charged surface: 238.585  Volume: 310.25
  Hydrophobic surface: 357.691  Hydrophilic surface: 203.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.