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ASINEX-ZINC01229666

 MMsINC code: MMs00233314
Type: Neutral
Formula: C6H5FN2O4
SMILES:   FC1=CN(CC(O)=O)C(=O)NC1=O
InChI:   InChI=1/C6H5FN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13)

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Potential Energy
Epot(MMFF94)=4.85588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.114 g/mol  logS: -0.69214  SlogP: -0.4574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110495  Sterimol/B1: 2.6172  Sterimol/B2: 2.63196  Sterimol/B3: 3.54872
  Sterimol/B4: 5.14029  Sterimol/L: 10.961 
 
 Surface and Volume Properties
  Accessible surface: 325.791  Positive charged surface: 168.04  Negative charged surface: 157.751  Volume: 138.375
  Hydrophobic surface: 107.734  Hydrophilic surface: 218.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00233315
ASINEX-ZINC01229666