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ENAMINE-ZINC01926290

 MMsINC code: MMs01245858
Type: Ionized
Formula: C14H11FNO4S-
SMILES:   S(=O)(=O)(N(C)c1ccccc1C(=O)[O-])c1ccc(F)cc1
InChI:   InChI=1/C14H12FNO4S/c1-16(13-5-3-2-4-12(13)14(17)18)21(19,20)11-8-6-10(15)7-9-11/h2-9H,1H3,(H,17,18)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.2963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.309 g/mol  logS: -3.64713  SlogP: 1.0143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198305  Sterimol/B1: 2.17822  Sterimol/B2: 2.5228  Sterimol/B3: 5.54826
  Sterimol/B4: 6.88311  Sterimol/L: 12.263 
 
 Surface and Volume Properties
  Accessible surface: 473.834  Positive charged surface: 218.886  Negative charged surface: 254.949  Volume: 259.25
  Hydrophobic surface: 347.137  Hydrophilic surface: 126.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01245857
ENAMINE-ZINC01926290