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ENAMINE-ZINC03227278

 MMsINC code: MMs01316955
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C13H10FNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=34.1278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.29 g/mol  logS: -3.3111  SlogP: 2.3247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145149  Sterimol/B1: 2.31332  Sterimol/B2: 4.17263  Sterimol/B3: 4.80242
  Sterimol/B4: 6.02472  Sterimol/L: 13.2541 
 
 Surface and Volume Properties
  Accessible surface: 471.236  Positive charged surface: 228.255  Negative charged surface: 242.981  Volume: 240.125
  Hydrophobic surface: 291.322  Hydrophilic surface: 179.914
 
 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


MMs01316956
ENAMINE-ZINC03227278