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MAYBRIDGE-ZINC00142561

 MMsINC code: MMs02139864
Type: Neutral
Formula: C8H10FNO2S
SMILES:   S(=O)(=O)(NCC)c1ccc(F)cc1
InChI:   InChI=1/C8H10FNO2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3

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Potential Energy
Epot(MMFF94)=-0.8426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.237 g/mol  logS: -1.84505  SlogP: 1.1239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153202  Sterimol/B1: 2.4442  Sterimol/B2: 3.29682  Sterimol/B3: 4.97599
  Sterimol/B4: 4.98959  Sterimol/L: 11.6301 
 
 Surface and Volume Properties
  Accessible surface: 377.983  Positive charged surface: 196.281  Negative charged surface: 181.702  Volume: 170.625
  Hydrophobic surface: 271.077  Hydrophilic surface: 106.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.