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ASINEX-ZINC01839323

 MMsINC code: MMs00259067
Type: Neutral
Formula: C19H15NO4S
SMILES:   s1cccc1C(=O)NCC(OCC(=O)c1cc2c(cc1)cccc2)=O
InChI:   InChI=1/C19H15NO4S/c21-16(15-8-7-13-4-1-2-5-14(13)10-15)12-24-18(22)11-20-19(23)17-6-3-9-25-17/h1-10H,11-12H2,(H,20,23)

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Potential Energy
Epot(MMFF94)=74.1438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.398 g/mol  logS: -5.72298  SlogP: 3.0572  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00240695  Sterimol/B1: 2.3748  Sterimol/B2: 2.37531  Sterimol/B3: 3.48833
  Sterimol/B4: 4.70973  Sterimol/L: 21.8568 
 
 Surface and Volume Properties
  Accessible surface: 619.581  Positive charged surface: 300.325  Negative charged surface: 308.184  Volume: 320.75
  Hydrophobic surface: 489.482  Hydrophilic surface: 130.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.