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CHEMBRIDGE-ZINC02168202

 MMsINC code: MMs00703308
Type: Neutral
Formula: C19H15NO4S
SMILES:   S1\C(=C/c2ccc(cc2)C(OC)=O)\C(=O)N(Cc2ccccc2)C1=O
InChI:   InChI=1/C19H15NO4S/c1-24-18(22)15-9-7-13(8-10-15)11-16-17(21)20(19(23)25-16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b16-11-

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Potential Energy
Epot(MMFF94)=73.1534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.398 g/mol  logS: -5.1343  SlogP: 3.9761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588191  Sterimol/B1: 3.56891  Sterimol/B2: 3.94987  Sterimol/B3: 4.73648
  Sterimol/B4: 5.05636  Sterimol/L: 18.6213 
 
 Surface and Volume Properties
  Accessible surface: 599.176  Positive charged surface: 337.957  Negative charged surface: 261.219  Volume: 320.25
  Hydrophobic surface: 453.23  Hydrophilic surface: 145.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.