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ASINEX-ZINC04709369

 MMsINC code: MMs00362173
Type: Neutral
Formula: C14H9NO2S
SMILES:   s1cc(cc1)\C=C/1\N=C(OC\1=O)c1ccccc1
InChI:   InChI=1/C14H9NO2S/c16-14-12(8-10-6-7-18-9-10)15-13(17-14)11-4-2-1-3-5-11/h1-9H/b12-8-

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Potential Energy
Epot(MMFF94)=65.1943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.297 g/mol  logS: -4.71076  SlogP: 3.0926  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.39722e-07  Sterimol/B1: 2.18402  Sterimol/B2: 2.18598  Sterimol/B3: 3.65177
  Sterimol/B4: 6.68775  Sterimol/L: 14.3378 
 
 Surface and Volume Properties
  Accessible surface: 456.723  Positive charged surface: 190.45  Negative charged surface: 266.274  Volume: 233.25
  Hydrophobic surface: 379.194  Hydrophilic surface: 77.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.