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CHEMBLOCK-ZINC00462507

 MMsINC code: MMs00504711
Type: Neutral
Formula: C16H16FNO4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1F)CC(O)=O)c1ccc(cc1)C
InChI:   InChI=1/C16H16FNO4S/c1-12-6-8-14(9-7-12)23(21,22)18(11-16(19)20)10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=45.9661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.371 g/mol  logS: -3.83108  SlogP: 2.67602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866807  Sterimol/B1: 2.53953  Sterimol/B2: 3.85122  Sterimol/B3: 5.13936
  Sterimol/B4: 5.66769  Sterimol/L: 16.2395 
 
 Surface and Volume Properties
  Accessible surface: 528.078  Positive charged surface: 292.874  Negative charged surface: 235.204  Volume: 293.375
  Hydrophobic surface: 399.918  Hydrophilic surface: 128.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00504712
CHEMBLOCK-ZINC00462507