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NCID-ZINC01623717

 MMsINC code: MMs02270995
Type: Neutral
Formula: C10H9FN2O4
SMILES:   FC1=CN(C2OC(C=CC2=O)C)C(=O)NC1=O
InChI:   InChI=1/C10H9FN2O4/c1-5-2-3-7(14)9(17-5)13-4-6(11)8(15)12-10(13)16/h2-5,9H,1H3,(H,12,15,16)/t5-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=36.1842 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: 0.0867954  Sterimol/B1: 2.32094  Sterimol/B2: 2.85274  Sterimol/B3: 3.22225
  Sterimol/B4: 5.54571  Sterimol/L: 12.4709 
 
 Surface and Volume Properties
  Accessible surface: 402.361  Positive charged surface: 217.856  Negative charged surface: 184.504  Volume: 194.125
  Hydrophobic surface: 215.341  Hydrophilic surface: 187.02
 
 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.