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ENAMINE-ZINC03361136

 MMsINC code: MMs01395970
Type: Neutral
Formula: C20H17NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1Cc1ccccc1)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C20H17NO4S/c22-20(23)17-10-6-11-18(14-17)26(24,25)21-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14,21H,13H2,(H,22,23)

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Potential Energy
Epot(MMFF94)=72.5013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.425 g/mol  logS: -4.81905  SlogP: 3.77637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.477223  Sterimol/B1: 2.44806  Sterimol/B2: 3.37729  Sterimol/B3: 6.55162
  Sterimol/B4: 9.08878  Sterimol/L: 11.8192 
 
 Surface and Volume Properties
  Accessible surface: 525.641  Positive charged surface: 281.195  Negative charged surface: 244.445  Volume: 330.375
  Hydrophobic surface: 365.014  Hydrophilic surface: 160.627
 
 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


MMs01395971
ENAMINE-ZINC03361136