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CHEMDIV-ZINC01795924

 MMsINC code: MMs00868425
Type: Neutral
Formula: C11H14FNO4S
SMILES:   S(=O)(=O)(NCCCCC(O)=O)c1ccccc1F
InChI:   InChI=1/C11H14FNO4S/c12-9-5-1-2-6-10(9)18(16,17)13-8-4-3-7-11(14)15/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=-8.31288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.3 g/mol  logS: -1.79914  SlogP: 1.3589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05159  Sterimol/B1: 2.58773  Sterimol/B2: 2.63573  Sterimol/B3: 4.29017
  Sterimol/B4: 6.59898  Sterimol/L: 15.4748 
 
 Surface and Volume Properties
  Accessible surface: 481.117  Positive charged surface: 264.081  Negative charged surface: 217.036  Volume: 231.5
  Hydrophobic surface: 297.41  Hydrophilic surface: 183.707
 
 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


MMs00868426
CHEMDIV-ZINC01795924