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CHEMSTAR-ZINC02311860

 MMsINC code: MMs01080986
Type: Neutral
Formula: C19H17F5N2O4
SMILES:   Fc1cc(NC(=O)NC(Oc2ccc(F)cc2)(C(OCC)=O)C(F)(F)F)c(cc1)C
InChI:   InChI=1/C19H17F5N2O4/c1-3-29-16(27)18(19(22,23)24,30-14-8-6-12(20)7-9-14)26-17(28)25-15-10-13(21)5-4-11(15)2/h4-10H,3H2,1-2H3,(H2,25,26,28)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.345 g/mol  logS: -5.89767  SlogP: 4.71532  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.170781  Sterimol/B1: 2.38093  Sterimol/B2: 3.62387  Sterimol/B3: 5.88164
  Sterimol/B4: 9.30797  Sterimol/L: 15.725 
 
 Surface and Volume Properties
  Accessible surface: 617.989  Positive charged surface: 299.679  Negative charged surface: 318.31  Volume: 346.5
  Hydrophobic surface: 466.826  Hydrophilic surface: 151.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.