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ENAMINE-ZINC00081748

 MMsINC code: MMs01223352
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1ccc(F)cc1C
InChI:   InChI=1/C14H12FNO4S/c1-9-8-10(15)6-7-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=60.8336 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: 0.129538  Sterimol/B1: 2.30528  Sterimol/B2: 2.57284  Sterimol/B3: 5.31415
  Sterimol/B4: 7.03784  Sterimol/L: 13.1793 
 
 Surface and Volume Properties
  Accessible surface: 474.256  Positive charged surface: 226.701  Negative charged surface: 247.555  Volume: 253.5
  Hydrophobic surface: 323.366  Hydrophilic surface: 150.89
 
 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


MMs01223353
ENAMINE-ZINC00081748