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PUBCHEM-ZINC01475613

 MMsINC code: MMs02811484
Type: Neutral
Formula: C11H10F3NO4S2
SMILES:   S(CC(OCC(F)(F)F)=O)c1ccc(SC)cc1[N+](=O)[O-]
InChI:   InChI=1/C11H10F3NO4S2/c1-20-7-2-3-9(8(4-7)15(17)18)21-5-10(16)19-6-11(12,13)14/h2-4H,5-6H2,1H3

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Potential Energy
Epot(MMFF94)=92.0959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.33 g/mol  logS: -5.70907  SlogP: 3.9342  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0143815  Sterimol/B1: 1.98822  Sterimol/B2: 2.63656  Sterimol/B3: 2.63956
  Sterimol/B4: 8.33502  Sterimol/L: 16.6238 
 
 Surface and Volume Properties
  Accessible surface: 526.973  Positive charged surface: 197.058  Negative charged surface: 329.914  Volume: 254.625
  Hydrophobic surface: 235.733  Hydrophilic surface: 291.24
 
 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.