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ASINEX-ZINC00346303

 MMsINC code: MMs00121836
Type: Neutral
Formula: C16H14N2O5S
SMILES:   S(=O)(=O)(NNC(=O)c1oc2c(c1)cccc2)c1ccc(OC)cc1
InChI:   InChI=1/C16H14N2O5S/c1-22-12-6-8-13(9-7-12)24(20,21)18-17-16(19)15-10-11-4-2-3-5-14(11)23-15/h2-10,18H,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=96.7607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.363 g/mol  logS: -5.20652  SlogP: 2.0647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337033  Sterimol/B1: 2.34142  Sterimol/B2: 3.28092  Sterimol/B3: 3.68986
  Sterimol/B4: 9.06825  Sterimol/L: 15.485 
 
 Surface and Volume Properties
  Accessible surface: 579.409  Positive charged surface: 318.784  Negative charged surface: 255.063  Volume: 295.25
  Hydrophobic surface: 429.231  Hydrophilic surface: 150.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.