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CHEMDIV-ZINC00216936

 MMsINC code: MMs00842055
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C15H14FNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=50.1576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -3.35716  SlogP: 2.3676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851225  Sterimol/B1: 2.95715  Sterimol/B2: 3.68046  Sterimol/B3: 3.79268
  Sterimol/B4: 6.42643  Sterimol/L: 15.2237 
 
 Surface and Volume Properties
  Accessible surface: 502.931  Positive charged surface: 261.192  Negative charged surface: 241.739  Volume: 276.875
  Hydrophobic surface: 378.707  Hydrophilic surface: 124.224
 
 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: no related molecules available.