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ASINEX-ZINC02908849

 MMsINC code: MMs00280953
Type: Neutral
Formula: C17H14N2O4S
SMILES:   S(=O)(=O)(NCC=C)c1ccc(N2C(=O)c3c(cccc3)C2=O)cc1
InChI:   InChI=1/C17H14N2O4S/c1-2-11-18-24(22,23)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17(19)21/h2-10,18H,1,11H2

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Potential Energy
Epot(MMFF94)=49.1608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.375 g/mol  logS: -4.0928  SlogP: 1.9515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753722  Sterimol/B1: 2.097  Sterimol/B2: 2.097  Sterimol/B3: 5.82241
  Sterimol/B4: 7.00171  Sterimol/L: 17.1268 
 
 Surface and Volume Properties
  Accessible surface: 563.185  Positive charged surface: 279.591  Negative charged surface: 283.594  Volume: 300.375
  Hydrophobic surface: 352.25  Hydrophilic surface: 210.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.