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ALFAAESAR-ZINC01607176

 MMsINC code: MMs00021494
Type: Neutral
Formula: C4H5FN2O3
SMILES:   FC1C(O)NC(=O)NC1=O
InChI:   InChI=1/C4H5FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-2,8H,(H2,6,7,9,10)/t1-,2+/m0/s1

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Potential Energy
Epot(MMFF94)=-21.3369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.093 g/mol  logS: -0.14236  SlogP: -1.0978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283609  Sterimol/B1: 2.5691  Sterimol/B2: 2.82027  Sterimol/B3: 3.51925
  Sterimol/B4: 5.00671  Sterimol/L: 7.36513 
 
 Surface and Volume Properties
  Accessible surface: 279.221  Positive charged surface: 157.555  Negative charged surface: 121.666  Volume: 105.125
  Hydrophobic surface: 39.6838  Hydrophilic surface: 239.5372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.