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ENAMINE-ZINC00227555

 MMsINC code: MMs01227087
Type: Neutral
Formula: C16H14N2O3S2
SMILES:   s1c2c(cccc2)c(O)c1\C=N\NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C16H14N2O3S2/c1-11-6-8-12(9-7-11)23(20,21)18-17-10-15-16(19)13-4-2-3-5-14(13)22-15/h2-10,18-19H,1H3/b17-10+

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Potential Energy
Epot(MMFF94)=91.5348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.431 g/mol  logS: -5.27796  SlogP: 3.22772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720842  Sterimol/B1: 2.28272  Sterimol/B2: 2.60363  Sterimol/B3: 5.33054
  Sterimol/B4: 8.03295  Sterimol/L: 15.9942 
 
 Surface and Volume Properties
  Accessible surface: 578.052  Positive charged surface: 293.251  Negative charged surface: 279.522  Volume: 303.375
  Hydrophobic surface: 426.78  Hydrophilic surface: 151.272
 
 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.