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CHEMBLOCK-ZINC04457955

 MMsINC code: MMs00551915
Type: Ionized
Formula: C10H4F4NO4-
SMILES:   Fc1c(C(=O)CC(=N)C(=O)[O-])c(O)c(F)c(F)c1F
InChI:   InChI=1/C10H5F4NO4/c11-5-4(3(16)1-2(15)10(18)19)9(17)8(14)7(13)6(5)12/h15,17H,1H2,(H,18,19)/p-1/b15-2+

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Potential Energy
Epot(MMFF94)=55.5576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.137 g/mol  logS: -3.17808  SlogP: 0.29107  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0942158  Sterimol/B1: 2.62529  Sterimol/B2: 3.32875  Sterimol/B3: 4.05334
  Sterimol/B4: 4.97603  Sterimol/L: 12.5142 
 
 Surface and Volume Properties
  Accessible surface: 402.385  Positive charged surface: 150.947  Negative charged surface: 251.439  Volume: 190.75
  Hydrophobic surface: 207.729  Hydrophilic surface: 194.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs00551914
CHEMBLOCK-ZINC04457955