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PUBCHEM-ZINC05331596

 MMsINC code: MMs03241814
Type: Ionized
Formula: C20H15N2O4S-
SMILES:   s1cccc1C(=O)NC(Nc1cc(ccc1)C(=O)[O-])C(=O)c1ccccc1
InChI:   InChI=1/C20H16N2O4S/c23-17(13-6-2-1-3-7-13)18(22-19(24)16-10-5-11-27-16)21-15-9-4-8-14(12-15)20(25)26/h1-12,18,21H,(H,22,24)(H,25,26)/p-1/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=59.5449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.416 g/mol  logS: -5.13831  SlogP: 2.1625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164003  Sterimol/B1: 3.68808  Sterimol/B2: 3.92472  Sterimol/B3: 4.71425
  Sterimol/B4: 10.1597  Sterimol/L: 15.4933 
 
 Surface and Volume Properties
  Accessible surface: 636.258  Positive charged surface: 268.255  Negative charged surface: 368.002  Volume: 343.5
  Hydrophobic surface: 479.971  Hydrophilic surface: 156.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs03241813
PUBCHEM-ZINC05331596