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NCID-ZINC01624958

 MMsINC code: MMs02271852
Type: Neutral
Formula: C10H9FN2O4
SMILES:   FC1=CN(C2OC(C)C(=O)C=C2)C(=O)NC1=O
InChI:   InChI=1/C10H9FN2O4/c1-5-7(14)2-3-8(17-5)13-4-6(11)9(15)12-10(13)16/h2-5,8H,1H3,(H,12,15,16)/t5-,8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.19 g/mol  logS: -2.03289  SlogP: 0.3281  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.076375  Sterimol/B1: 2.36956  Sterimol/B2: 2.94305  Sterimol/B3: 3.14441
  Sterimol/B4: 5.68823  Sterimol/L: 12.454 
 
 Surface and Volume Properties
  Accessible surface: 401.897  Positive charged surface: 216.116  Negative charged surface: 185.781  Volume: 195.125
  Hydrophobic surface: 213.998  Hydrophilic surface: 187.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.