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PUBCHEM-ZINC02767688

 MMsINC code: MMs02920664
Type: Neutral
Formula: C13H13F4NO4
SMILES:   Fc1cc(C)c(NC(=O)CC(O)(C(OC)=O)C(F)(F)F)cc1
InChI:   InChI=1/C13H13F4NO4/c1-7-5-8(14)3-4-9(7)18-10(19)6-12(21,11(20)22-2)13(15,16)17/h3-5,21H,6H2,1-2H3,(H,18,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=65.9953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.242 g/mol  logS: -3.21296  SlogP: 2.34902  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0496376  Sterimol/B1: 2.77265  Sterimol/B2: 2.98424  Sterimol/B3: 3.63862
  Sterimol/B4: 6.73612  Sterimol/L: 13.3698 
 
 Surface and Volume Properties
  Accessible surface: 503.173  Positive charged surface: 259.667  Negative charged surface: 243.506  Volume: 253.5
  Hydrophobic surface: 337.212  Hydrophilic surface: 165.961
 
 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.