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ASINEX-ZINC00182947

 MMsINC code: MMs00086865
Type: Neutral
Formula: C7H7FN2O4
SMILES:   FC1=CN(CCC(O)=O)C(=O)NC1=O
InChI:   InChI=1/C7H7FN2O4/c8-4-3-10(2-1-5(11)12)7(14)9-6(4)13/h3H,1-2H2,(H,11,12)(H,9,13,14)

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Potential Energy
Epot(MMFF94)=-10.5869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.141 g/mol  logS: -0.57406  SlogP: -0.0673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777873  Sterimol/B1: 2.63135  Sterimol/B2: 2.64669  Sterimol/B3: 3.04767
  Sterimol/B4: 5.14519  Sterimol/L: 12.4583 
 
 Surface and Volume Properties
  Accessible surface: 355.222  Positive charged surface: 189.758  Negative charged surface: 165.465  Volume: 155.5
  Hydrophobic surface: 139.402  Hydrophilic surface: 215.82
 
 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


MMs00086866
ASINEX-ZINC00182947