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CHEMBLOCK-ZINC04457955

 MMsINC code: MMs00551914
Type: Neutral
Formula: C10H5F4NO4
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)/b15-2+

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Potential Energy
Epot(MMFF94)=62.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.145 g/mol  logS: -2.91763  SlogP: 1.62577  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0870965  Sterimol/B1: 3.34997  Sterimol/B2: 3.46439  Sterimol/B3: 3.91456
  Sterimol/B4: 4.99184  Sterimol/L: 13.2647 
 
 Surface and Volume Properties
  Accessible surface: 417.754  Positive charged surface: 193.827  Negative charged surface: 223.927  Volume: 193.25
  Hydrophobic surface: 205.26  Hydrophilic surface: 212.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00551915
CHEMBLOCK-ZINC04457955