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CHEMDIV-ZINC04705165

 MMsINC code: MMs00942893
Type: Neutral
Formula: C18H12N2O4S2
SMILES:   s1cccc1C(Oc1ccc(NC2=NS(=O)(=O)c3c2cccc3)cc1)=O
InChI:   InChI=1/C18H12N2O4S2/c21-18(15-5-3-11-25-15)24-13-9-7-12(8-10-13)19-17-14-4-1-2-6-16(14)26(22,23)20-17/h1-11H,(H,19,20)

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Potential Energy
Epot(MMFF94)=92.5955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.436 g/mol  logS: -5.77182  SlogP: 3.5283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219089  Sterimol/B1: 2.47284  Sterimol/B2: 2.65316  Sterimol/B3: 3.79798
  Sterimol/B4: 6.29357  Sterimol/L: 19.9768 
 
 Surface and Volume Properties
  Accessible surface: 612.618  Positive charged surface: 259.192  Negative charged surface: 353.426  Volume: 319.75
  Hydrophobic surface: 471.714  Hydrophilic surface: 140.904
 
 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.