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CHEMBRIDGE-ZINC04844726

 MMsINC code: MMs00801082
Type: Neutral
Formula: C15H11FN2O3S
SMILES:   S=C(Nc1ccccc1C(O)=O)NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C15H11FN2O3S/c16-10-7-5-9(6-8-10)13(19)18-15(22)17-12-4-2-1-3-11(12)14(20)21/h1-8H,(H,20,21)(H2,17,18,19,22)

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Potential Energy
Epot(MMFF94)=124.826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.328 g/mol  logS: -5.08274  SlogP: 2.6507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193008  Sterimol/B1: 2.57862  Sterimol/B2: 3.17512  Sterimol/B3: 3.37092
  Sterimol/B4: 6.28987  Sterimol/L: 16.4957 
 
 Surface and Volume Properties
  Accessible surface: 513.838  Positive charged surface: 253.17  Negative charged surface: 260.669  Volume: 268.125
  Hydrophobic surface: 332.183  Hydrophilic surface: 181.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00801083
CHEMBRIDGE-ZINC04844726