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ENAMINE-ZINC06995384

 MMsINC code: MMs01717409
Type: Neutral
Formula: C16H14N2O2S2
SMILES:   S(=O)(=O)(C\N=C(\N=C=S)/c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C16H14N2O2S2/c1-13-7-9-14(10-8-13)16(17-11-21)18-12-22(19,20)15-5-3-2-4-6-15/h2-10H,12H2,1H3/b18-16-

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Potential Energy
Epot(MMFF94)=94.0172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.432 g/mol  logS: -5.10904  SlogP: 3.27582  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0512195  Sterimol/B1: 3.10323  Sterimol/B2: 4.02408  Sterimol/B3: 4.19234
  Sterimol/B4: 9.09115  Sterimol/L: 14.7831 
 
 Surface and Volume Properties
  Accessible surface: 561.513  Positive charged surface: 250.344  Negative charged surface: 311.168  Volume: 298.75
  Hydrophobic surface: 389.591  Hydrophilic surface: 171.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.