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ENAMINE-ZINC04387791

 MMsINC code: MMs01539143
Type: Neutral
Formula: C7H4F3NO3S
SMILES:   S(=O)(C(F)(F)F)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C7H4F3NO3S/c8-7(9,10)15(14)6-3-1-5(2-4-6)11(12)13/h1-4H/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=65.1905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.173 g/mol  logS: -3.60423  SlogP: 2.6421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805631  Sterimol/B1: 2.44236  Sterimol/B2: 2.96508  Sterimol/B3: 3.20708
  Sterimol/B4: 4.80427  Sterimol/L: 11.971 
 
 Surface and Volume Properties
  Accessible surface: 364.144  Positive charged surface: 107.358  Negative charged surface: 256.785  Volume: 162.875
  Hydrophobic surface: 131.898  Hydrophilic surface: 232.246
 
 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.