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APOLLO-ZINC02577663

 MMsINC code: MMs00055206
Type: Neutral
Formula: C7H2F3N3O4
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1
InChI:   InChI=1/C7H2F3N3O4/c8-7(9,10)3-1-4(12(14)15)6-5(2-3)13(16)17-11-6/h1-2H

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Potential Energy
Epot(MMFF94)=124.185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.104 g/mol  logS: -4.0196  SlogP: 1.6997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329847  Sterimol/B1: 2.1553  Sterimol/B2: 2.81544  Sterimol/B3: 4.05864
  Sterimol/B4: 6.65355  Sterimol/L: 9.48537 
 
 Surface and Volume Properties
  Accessible surface: 360.485  Positive charged surface: 54.486  Negative charged surface: 305.999  Volume: 158.125
  Hydrophobic surface: 92.9633  Hydrophilic surface: 267.5217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.