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ASINEX-ZINC04384277

 MMsINC code: MMs00328894
Type: Neutral
Formula: C10H7FN2O2
SMILES:   Fc1ccc(-n2ncc(c2)C(O)=O)cc1
InChI:   InChI=1/C10H7FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)

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Potential Energy
Epot(MMFF94)=31.8026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.176 g/mol  logS: -1.80317  SlogP: 1.7096  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.74963e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09946  Sterimol/B3: 2.49119
  Sterimol/B4: 5.07444  Sterimol/L: 13.7154 
 
 Surface and Volume Properties
  Accessible surface: 387.915  Positive charged surface: 192.112  Negative charged surface: 195.803  Volume: 177.625
  Hydrophobic surface: 256.614  Hydrophilic surface: 131.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00328895
ASINEX-ZINC04384277