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CHEMSTAR-ZINC04017409

 MMsINC code: MMs01088104
Type: Neutral
Formula: C3H4F3NO4S
SMILES:   S(=O)(=O)(NCC(O)=O)C(F)(F)F
InChI:   InChI=1/C3H4F3NO4S/c4-3(5,6)12(10,11)7-1-2(8)9/h7H,1H2,(H,8,9)

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Potential Energy
Epot(MMFF94)=46.282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.128 g/mol  logS: -0.53379  SlogP: -0.0699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119653  Sterimol/B1: 3.00603  Sterimol/B2: 3.42089  Sterimol/B3: 3.44179
  Sterimol/B4: 4.10238  Sterimol/L: 10.6842 
 
 Surface and Volume Properties
  Accessible surface: 314.155  Positive charged surface: 101.685  Negative charged surface: 212.469  Volume: 124.625
  Hydrophobic surface: 23.9335  Hydrophilic surface: 290.2215
 
 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


MMs01088105
CHEMSTAR-ZINC04017409