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PUBCHEM-ZINC02561456

 MMsINC code: MMs02901148
Type: Neutral
Formula: C11H12FNO3S
SMILES:   S(CC(=O)NCc1ccc(F)cc1)CC(O)=O
InChI:   InChI=1/C11H12FNO3S/c12-9-3-1-8(2-4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=40.4002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.285 g/mol  logS: -2.81371  SlogP: 1.5261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529939  Sterimol/B1: 2.4204  Sterimol/B2: 3.20589  Sterimol/B3: 3.5438
  Sterimol/B4: 4.82163  Sterimol/L: 17.3357 
 
 Surface and Volume Properties
  Accessible surface: 483.906  Positive charged surface: 278.08  Negative charged surface: 205.825  Volume: 225.25
  Hydrophobic surface: 299.122  Hydrophilic surface: 184.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02901149
PUBCHEM-ZINC02561456