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CHEMDIV-ZINC00258673

 MMsINC code: MMs00847005
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(NCc1ccc(cc1)C(O)=O)c1ccc(cc1)C
InChI:   InChI=1/C15H15NO4S/c1-11-2-8-14(9-3-11)21(19,20)16-10-12-4-6-13(7-5-12)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=22.3352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.43408  SlogP: 2.43812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663819  Sterimol/B1: 2.44715  Sterimol/B2: 3.20276  Sterimol/B3: 4.45838
  Sterimol/B4: 6.41581  Sterimol/L: 17.5232 
 
 Surface and Volume Properties
  Accessible surface: 538.699  Positive charged surface: 283.332  Negative charged surface: 255.367  Volume: 273.5
  Hydrophobic surface: 356.948  Hydrophilic surface: 181.751
 
 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


MMs00847006
CHEMDIV-ZINC00258673