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CHEMBLOCK-ZINC00079178

 MMsINC code: MMs00494481
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1cc(ccc1F)C(O)=O
InChI:   InChI=1/C13H10FNO4S/c14-11-7-6-9(13(16)17)8-12(11)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=27.7561 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: 0.266546  Sterimol/B1: 2.43161  Sterimol/B2: 3.32969  Sterimol/B3: 5.24548
  Sterimol/B4: 6.90236  Sterimol/L: 11.3796 
 
 Surface and Volume Properties
  Accessible surface: 463.111  Positive charged surface: 226.812  Negative charged surface: 236.299  Volume: 240.5
  Hydrophobic surface: 290.223  Hydrophilic surface: 172.888
 
 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


MMs00494482
CHEMBLOCK-ZINC00079178