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CHEMDIV-ZINC01902835

 MMsINC code: MMs00869282
Type: Neutral
Formula: C12H16FNO4S
SMILES:   S(=O)(=O)(NC(CCCC)C(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C12H16FNO4S/c1-2-3-4-11(12(15)16)14-19(17,18)10-7-5-9(13)6-8-10/h5-8,11,14H,2-4H2,1H3,(H,15,16)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=12.2182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.327 g/mol  logS: -3.0731  SlogP: 1.7474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919336  Sterimol/B1: 3.18654  Sterimol/B2: 3.68924  Sterimol/B3: 4.02688
  Sterimol/B4: 5.53503  Sterimol/L: 15.4234 
 
 Surface and Volume Properties
  Accessible surface: 485.281  Positive charged surface: 274.412  Negative charged surface: 210.869  Volume: 251.125
  Hydrophobic surface: 321.601  Hydrophilic surface: 163.68
 
 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


MMs00869283
CHEMDIV-ZINC01902835