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APOLLO-ZINC04329280

 MMsINC code: MMs00059014
Type: Neutral
Formula: C11H13F3N2O2
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])c(NC(C)(C)C)cc1
InChI:   InChI=1/C11H13F3N2O2/c1-10(2,3)15-8-5-4-7(11(12,13)14)6-9(8)16(17)18/h4-6,15H,1-3H3

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Potential Energy
Epot(MMFF94)=121.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.231 g/mol  logS: -4.00975  SlogP: 4.1355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995515  Sterimol/B1: 2.39011  Sterimol/B2: 2.79591  Sterimol/B3: 4.84375
  Sterimol/B4: 6.52054  Sterimol/L: 12.2876 
 
 Surface and Volume Properties
  Accessible surface: 432.601  Positive charged surface: 176.351  Negative charged surface: 256.25  Volume: 213.75
  Hydrophobic surface: 200.811  Hydrophilic surface: 231.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.