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ASINEX-ZINC04957225

 MMsINC code: MMs00413186
Type: Neutral
Formula: C15H12N2O5S2
SMILES:   S\1\C(=C/c2occc2)\C(=O)N/C/1=N/S(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C15H12N2O5S2/c1-21-10-4-6-12(7-5-10)24(19,20)17-15-16-14(18)13(23-15)9-11-3-2-8-22-11/h2-9H,1H3,(H,16,17,18)/b13-9+

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Potential Energy
Epot(MMFF94)=46.7542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.402 g/mol  logS: -5.03433  SlogP: 2.237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300215  Sterimol/B1: 2.91185  Sterimol/B2: 3.28399  Sterimol/B3: 3.99879
  Sterimol/B4: 5.21251  Sterimol/L: 20.5965 
 
 Surface and Volume Properties
  Accessible surface: 573.997  Positive charged surface: 303.962  Negative charged surface: 270.036  Volume: 299.5
  Hydrophobic surface: 396.05  Hydrophilic surface: 177.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.