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ASINEX-ZINC04907251

 MMsINC code: MMs00402106
Type: Neutral
Formula: C14H14N2O2S
SMILES:   S(=O)(=O)(N\N=C(\C)/c1ccccc1)c1ccccc1
InChI:   InChI=1/C14H14N2O2S/c1-12(13-8-4-2-5-9-13)15-16-19(17,18)14-10-6-3-7-11-14/h2-11,16H,1H3/b15-12+

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Potential Energy
Epot(MMFF94)=90.1123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.344 g/mol  logS: -3.8188  SlogP: 2.3891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100484  Sterimol/B1: 2.23102  Sterimol/B2: 3.21108  Sterimol/B3: 4.95959
  Sterimol/B4: 7.13332  Sterimol/L: 13.4965 
 
 Surface and Volume Properties
  Accessible surface: 496.134  Positive charged surface: 244.153  Negative charged surface: 251.981  Volume: 253.25
  Hydrophobic surface: 408.303  Hydrophilic surface: 87.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.