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CHEMSTAR-ZINC00030987

 MMsINC code: MMs01072190
Type: Neutral
Formula: C10H14FNO3S
SMILES:   S(=O)(=O)(NC(COC)C)c1ccc(F)cc1
InChI:   InChI=1/C10H14FNO3S/c1-8(7-15-2)12-16(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=16.3158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.29 g/mol  logS: -1.98769  SlogP: 1.1389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184382  Sterimol/B1: 2.50947  Sterimol/B2: 3.41955  Sterimol/B3: 5.08199
  Sterimol/B4: 6.11394  Sterimol/L: 12.6624 
 
 Surface and Volume Properties
  Accessible surface: 443.498  Positive charged surface: 272.272  Negative charged surface: 171.226  Volume: 214.625
  Hydrophobic surface: 348.666  Hydrophilic surface: 94.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.