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PUBCHEM-ZINC04749243

 MMsINC code: MMs03165802
Type: Neutral
Formula: C10H12FNO4S2
SMILES:   S(=O)(=O)(NC(C(O)=O)CSC)c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S2/c1-17-6-9(10(13)14)12-18(15,16)8-4-2-7(11)3-5-8/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=22.6238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.339 g/mol  logS: -2.50556  SlogP: 0.9202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102258  Sterimol/B1: 3.45217  Sterimol/B2: 3.48418  Sterimol/B3: 4.55809
  Sterimol/B4: 4.92188  Sterimol/L: 14.4133 
 
 Surface and Volume Properties
  Accessible surface: 466.114  Positive charged surface: 231.502  Negative charged surface: 234.612  Volume: 235.75
  Hydrophobic surface: 291.842  Hydrophilic surface: 174.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03165803
PUBCHEM-ZINC04749243