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CHEMBRIDGE-ZINC04749807

 MMsINC code: MMs00783406
Type: Neutral
Formula: C12H11F3N2O4
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])ccc1NC(=O)C1OCCC1
InChI:   InChI=1/C12H11F3N2O4/c13-12(14,15)8-6-7(17(19)20)3-4-9(8)16-11(18)10-2-1-5-21-10/h3-4,6,10H,1-2,5H2,(H,16,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=92.0293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.224 g/mol  logS: -4.12877  SlogP: 3.0426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480834  Sterimol/B1: 2.53025  Sterimol/B2: 2.90316  Sterimol/B3: 3.15666
  Sterimol/B4: 6.40382  Sterimol/L: 14.7648 
 
 Surface and Volume Properties
  Accessible surface: 472.427  Positive charged surface: 211.747  Negative charged surface: 260.679  Volume: 235.375
  Hydrophobic surface: 259.488  Hydrophilic surface: 212.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.