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ASINEX-ZINC00243058

 MMsINC code: MMs00097741
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1cc(F)ccc1)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C13H10FNO4S/c14-10-4-2-5-11(8-10)15-20(18,19)12-6-1-3-9(7-12)13(16)17/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=29.2212 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: 0.218068  Sterimol/B1: 3.12275  Sterimol/B2: 4.07836  Sterimol/B3: 5.06808
  Sterimol/B4: 6.16836  Sterimol/L: 11.2947 
 
 Surface and Volume Properties
  Accessible surface: 465.524  Positive charged surface: 225.317  Negative charged surface: 240.207  Volume: 240.375
  Hydrophobic surface: 289.081  Hydrophilic surface: 176.443
 
 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


MMs00097742
ASINEX-ZINC00243058