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NCID-ZINC01593638

 MMsINC code: MMs02248029
Type: Neutral
Formula: C5H2F3N3O4
SMILES:   FC(F)(F)C=1NC(=O)NC(=O)C=1[N+](=O)[O-]
InChI:   InChI=1/C5H2F3N3O4/c6-5(7,8)2-1(11(14)15)3(12)10-4(13)9-2/h(H2,9,10,12,13)

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Potential Energy
Epot(MMFF94)=16.6818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.082 g/mol  logS: -2.6211  SlogP: 0.2963  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0454089  Sterimol/B1: 2.61635  Sterimol/B2: 2.65689  Sterimol/B3: 3.93908
  Sterimol/B4: 4.78522  Sterimol/L: 8.9142 
 
 Surface and Volume Properties
  Accessible surface: 314.619  Positive charged surface: 92.5722  Negative charged surface: 222.047  Volume: 134.5
  Hydrophobic surface: 7.05378  Hydrophilic surface: 307.56522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.