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ENAMINE-ZINC03202856

 MMsINC code: MMs01304908
Type: Neutral
Formula: C8H5F2NO3S2
SMILES:   s1c2c(nc1C(S(O)(=O)=O)(F)F)cccc2
InChI:   InChI=1/C8H5F2NO3S2/c9-8(10,16(12,13)14)7-11-5-3-1-2-4-6(5)15-7/h1-4H,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=67.1675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.26 g/mol  logS: -2.65522  SlogP: 1.9792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0272947  Sterimol/B1: 3.04632  Sterimol/B2: 3.04785  Sterimol/B3: 3.31365
  Sterimol/B4: 4.58312  Sterimol/L: 13.0362 
 
 Surface and Volume Properties
  Accessible surface: 399.675  Positive charged surface: 137.659  Negative charged surface: 262.016  Volume: 186.125
  Hydrophobic surface: 203.13  Hydrophilic surface: 196.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01304909
ENAMINE-ZINC03202856