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ENAMINE-ZINC03208123

 MMsINC code: MMs01306700
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(O)=O)c1ccc(F)cc1C
InChI:   InChI=1/C14H12FNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=49.362 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: 0.235771  Sterimol/B1: 2.85271  Sterimol/B2: 2.88493  Sterimol/B3: 5.55573
  Sterimol/B4: 6.41438  Sterimol/L: 12.6924 
 
 Surface and Volume Properties
  Accessible surface: 478.643  Positive charged surface: 236.999  Negative charged surface: 241.644  Volume: 256.875
  Hydrophobic surface: 310.295  Hydrophilic surface: 168.348
 
 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


MMs01306701
ENAMINE-ZINC03208123