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ENAMINE-ZINC03201696

 MMsINC code: MMs01304547
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1cc(F)c(cc1)C
InChI:   InChI=1/C14H12FNO4S/c1-9-6-7-10(8-12(9)15)21(19,20)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=44.8166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.317 g/mol  logS: -3.47157  SlogP: 2.63312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30373  Sterimol/B1: 2.84465  Sterimol/B2: 4.05851  Sterimol/B3: 4.97665
  Sterimol/B4: 6.3453  Sterimol/L: 11.9137 
 
 Surface and Volume Properties
  Accessible surface: 483.184  Positive charged surface: 244.194  Negative charged surface: 238.991  Volume: 256.5
  Hydrophobic surface: 326.475  Hydrophilic surface: 156.709
 
 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


MMs01304548
ENAMINE-ZINC03201696