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CHEMDIV-ZINC00267728

 MMsINC code: MMs00848581
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1cc(ccc1F)C(O)=O
InChI:   InChI=1/C14H12FNO4S/c1-9-2-5-11(6-3-9)16-21(19,20)13-8-10(14(17)18)4-7-12(13)15/h2-8,16H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=30.3119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.317 g/mol  logS: -3.78502  SlogP: 2.63312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228562  Sterimol/B1: 3.2219  Sterimol/B2: 3.62799  Sterimol/B3: 4.83872
  Sterimol/B4: 7.33893  Sterimol/L: 12.3598 
 
 Surface and Volume Properties
  Accessible surface: 496.797  Positive charged surface: 253.83  Negative charged surface: 242.967  Volume: 257.125
  Hydrophobic surface: 323.032  Hydrophilic surface: 173.765
 
 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


MMs00848582
CHEMDIV-ZINC00267728