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CHEMBLOCK-ZINC03159388

 MMsINC code: MMs00537303
Type: Ionized
Formula: C7H5F7NO3-
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)NC(C(=O)[O-])C
InChI:   InChI=1/C7H6F7NO3/c1-2(3(16)17)15-4(18)5(8,9)6(10,11)7(12,13)14/h2H,1H3,(H,15,18)(H,16,17)/p-1/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=46.4596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.107 g/mol  logS: -2.83628  SlogP: 1.3336  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.110979  Sterimol/B1: 2.30846  Sterimol/B2: 2.54551  Sterimol/B3: 3.87409
  Sterimol/B4: 5.12504  Sterimol/L: 12.2074 
 
 Surface and Volume Properties
  Accessible surface: 389.244  Positive charged surface: 99.279  Negative charged surface: 289.965  Volume: 173.75
  Hydrophobic surface: 63.8387  Hydrophilic surface: 325.4053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00537302
CHEMBLOCK-ZINC03159388