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PUBCHEM-ZINC00182686

 MMsINC code: MMs02637218
Type: Neutral
Formula: C15H14N2O5S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(O)=O)c1cc(C(=O)N)c(cc1)C
InChI:   InChI=1/C15H14N2O5S/c1-9-2-7-12(8-13(9)14(16)18)23(21,22)17-11-5-3-10(4-6-11)15(19)20/h2-8,17H,1H3,(H2,16,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=59.5329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.352 g/mol  logS: -3.74216  SlogP: 1.59292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167088  Sterimol/B1: 2.36504  Sterimol/B2: 4.11405  Sterimol/B3: 4.41177
  Sterimol/B4: 7.87637  Sterimol/L: 14.1128 
 
 Surface and Volume Properties
  Accessible surface: 527.833  Positive charged surface: 291.008  Negative charged surface: 236.825  Volume: 281.75
  Hydrophobic surface: 257.907  Hydrophilic surface: 269.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02637219
PUBCHEM-ZINC00182686