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ENAMINE-ZINC03201624

 MMsINC code: MMs01304529
Type: Ionized
Formula: C14H11FNO4S-
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(=O)[O-])c1cc(F)ccc1C
InChI:   InChI=1/C14H12FNO4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.3763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.309 g/mol  logS: -3.73202  SlogP: 1.29842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317084  Sterimol/B1: 2.74686  Sterimol/B2: 2.94693  Sterimol/B3: 5.96207
  Sterimol/B4: 6.38221  Sterimol/L: 12.196 
 
 Surface and Volume Properties
  Accessible surface: 475.19  Positive charged surface: 199.162  Negative charged surface: 276.029  Volume: 258.625
  Hydrophobic surface: 308.226  Hydrophilic surface: 166.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs01304528
ENAMINE-ZINC03201624