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CHEMBLOCK-ZINC04614372

 MMsINC code: MMs00561693
Type: Neutral
Formula: C9H10FNO4S
SMILES:   S(=O)(=O)(NCC)c1cc(C(O)=O)c(F)cc1
InChI:   InChI=1/C9H10FNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=2.62999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.246 g/mol  logS: -1.81445  SlogP: 0.8221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137365  Sterimol/B1: 2.29781  Sterimol/B2: 3.85361  Sterimol/B3: 5.13714
  Sterimol/B4: 5.40614  Sterimol/L: 11.9105 
 
 Surface and Volume Properties
  Accessible surface: 416.396  Positive charged surface: 220.987  Negative charged surface: 195.409  Volume: 197.625
  Hydrophobic surface: 217.941  Hydrophilic surface: 198.455
 
 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


MMs00561694
CHEMBLOCK-ZINC04614372